Browse entries in the PDBbind-CN Database
HEADER 5I12_COMPLEX COMPND 5I12_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 157 ASP LEU LYS TRP HIS HIS HIS ASN ILE THR TYR TRP ILE SEQRES 2 A 157 GLN ASN TYR SER GLU ASP LEU PRO ARG ALA VAL ILE ASP SEQRES 3 A 157 ASP ALA PHE ALA ARG ALA PHE ALA LEU TRP SER ALA VAL SEQRES 4 A 157 THR PRO LEU THR PHE THR ARG VAL TYR SER ARG ASP ALA SEQRES 5 A 157 ASP ILE VAL ILE GLN PHE GLY VAL ALA GLU HIS GLY ASP SEQRES 6 A 157 GLY TYR PRO PHE ASP GLY LYS ASP GLY LEU LEU ALA HIS SEQRES 7 A 157 ALA PHE PRO PRO GLY PRO GLY ILE GLN GLY ASP ALA HIS SEQRES 8 A 157 PHE ASP ASP ASP GLU LEU TRP SER LEU GLY LYS GLY VAL SEQRES 9 A 157 GLY TYR SER LEU PHE LEU VAL ALA ALA HIS GLU PHE GLY SEQRES 10 A 157 HIS ALA LEU GLY LEU ASP HIS SER SER VAL PRO GLU ALA SEQRES 11 A 157 LEU MET TYR PRO MET TYR ARG PHE THR GLU GLY PRO PRO SEQRES 12 A 157 LEU HIS LYS ASP ASP VAL ASN GLY ILE ARG HIS LEU TYR SEQRES 13 A 157 GLY HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET CA A 4 1 HET CA A 5 1 HET H A 27 95 ATOM 1 N ASP A 113 35.298 -14.247 9.533 1.00 48.44 N ATOM 2 CA ASP A 113 36.311 -13.608 10.370 1.00 51.87 C ATOM 3 C ASP A 113 35.852 -13.494 11.815 1.00 51.06 C ATOM 4 O ASP A 113 34.670 -13.661 12.121 1.00 43.36 O ATOM 5 CB ASP A 113 36.662 -12.218 9.831 1.00 55.88 C ATOM 6 CG ASP A 113 37.295 -12.273 8.460 1.00 63.09 C ATOM 7 OD1 ASP A 113 37.960 -13.285 8.164 1.00 71.56 O ATOM 8 OD2 ASP A 113 37.127 -11.311 7.678 1.00 58.10 O ATOM 9 HN3 ASP A 113 34.424 -13.683 9.557 1.00 0.00 H ATOM 10 HN2 ASP A 113 35.105 -15.203 9.893 1.00 0.00 H ATOM 11 HN1 ASP A 113 35.646 -14.307 8.555 1.00 0.00 H ATOM 12 N LEU A 114 36.799 -13.198 12.696 1.00 47.83 N ATOM 13 CA LEU A 114 36.528 -13.016 14.117 1.00 46.30 C ATOM 14 C LEU A 114 35.944 -11.632 14.401 1.00 48.23 C ATOM 15 O LEU A 114 35.272 -11.423 15.421 1.00 43.40 O ATOM 16 CB LEU A 114 37.812 -13.220 14.932 1.00 50.91 C ATOM 17 CG LEU A 114 38.411 -14.627 14.891 1.00 53.46 C ATOM 18 CD1 LEU A 114 39.755 -14.663 15.587 1.00 52.19 C ATOM 19 CD2 LEU A 114 37.458 -15.625 15.532 1.00 59.01 C ATOM 20 H LEU A 114 37.777 -13.091 12.358 1.00 0.00 H ATOM 21 N LYS A 115 36.211 -10.687 13.502 1.00 40.17 N ATOM 22 CA LYS A 115 35.745 -9.315 13.674 1.00 40.82 C ATOM 23 C LYS A 115 35.795 -8.540 12.364 1.00 41.30 C ATOM 24 O LYS A 115 36.494 -8.934 11.426 1.00 40.77 O ATOM 25 CB LYS A 115 36.582 -8.591 14.735 1.00 42.58 C ATOM 26 CG LYS A 115 38.050 -8.510 14.401 1.00 46.22 C ATOM 27 CD LYS A 115 38.789 -7.665 15.417 1.00 46.08 C ATOM 28 CE LYS A 115 38.464 -6.196 15.242 1.00 45.14 C ATOM 29 NZ LYS A 115 39.266 -5.354 16.172 1.00 63.56 N ATOM 30 HZ1 LYS A 115 39.056 -5.627 17.153 1.00 0.00 H ATOM 31 HZ2 LYS A 115 40.278 -5.496 15.981 1.00 0.00 H ATOM 32 HZ3 LYS A 115 39.022 -4.353 16.029 1.00 0.00 H ATOM 33 H LYS A 115 36.765 -10.933 12.657 1.00 0.00 H ATOM 34 N TRP A 116 35.041 -7.442 12.310 1.00 36.91 N ATOM 35 CA TRP A 116 35.091 -6.515 11.183 1.00 37.30 C ATOM 36 C TRP A 116 36.408 -5.751 11.149 1.00 46.04 C ATOM 37 O TRP A 116 36.886 -5.261 12.178 1.00 48.88 O ATOM 38 CB TRP A 116 33.932 -5.523 11.246 1.00 34.88 C ATOM 39 CG TRP A 116 32.600 -6.168 11.018 1.00 35.95 C ATOM 40 CD1 TRP A 116 31.665 -6.472 11.968 1.00 30.90 C ATOM 41 CD2 TRP A 116 32.051 -6.598 9.763 1.00 37.31 C ATOM 42 NE1 TRP A 116 30.568 -7.064 11.383 1.00 30.82 N ATOM 43 CE2 TRP A 116 30.777 -7.147 10.032 1.00 30.60 C ATOM 44 CE3 TRP A 116 32.505 -6.562 8.442 1.00 39.95 C ATOM 45 CZ2 TRP A 116 29.967 -7.666 9.033 1.00 28.56 C ATOM 46 CZ3 TRP A 116 31.695 -7.081 7.444 1.00 31.49 C ATOM 47 CH2 TRP A 116 30.427 -7.622 7.747 1.00 28.93 C ATOM 48 HE1 TRP A 116 29.719 -7.394 11.885 1.00 0.00 H ATOM 49 H TRP A 116 34.394 -7.238 13.099 1.00 0.00 H ATOM 50 N HIS A 117 36.968 -5.629 9.952 1.00 42.30 N ATOM 51 CA HIS A 117 38.274 -5.014 9.763 1.00 46.00 C ATOM 52 C HIS A 117 38.186 -3.519 9.439 1.00 51.72 C ATOM 53 O HIS A 117 39.199 -2.875 9.174 1.00 59.73 O ATOM 54 CB HIS A 117 39.025 -5.769 8.665 1.00 48.17 C ATOM 55 CG HIS A 117 39.301 -7.200 9.009 1.00 48.57 C ATOM 56 ND1 HIS A 117 39.525 -7.622 10.303 1.00 50.82 N ATOM 57 CD2 HIS A 117 39.391 -8.307 8.233 1.00 51.34 C ATOM 58 CE1 HIS A 117 39.738 -8.926 10.310 1.00 53.80 C ATOM 59 NE2 HIS A 117 39.662 -9.366 9.067 1.00 56.71 N ATOM 60 H HIS A 117 36.456 -5.985 9.120 1.00 0.00 H ATOM 61 N HIS A 118 36.972 -2.974 9.454 1.00 48.33 N ATOM 62 CA HIS A 118 36.772 -1.527 9.369 1.00 43.81 C ATOM 63 C HIS A 118 35.745 -1.133 10.431 1.00 49.25 C ATOM 64 O HIS A 118 34.992 -1.981 10.904 1.00 44.18 O ATOM 65 CB HIS A 118 36.332 -1.096 7.961 1.00 43.82 C ATOM 66 CG HIS A 118 35.014 -1.666 7.528 1.00 43.36 C ATOM 67 ND1 HIS A 118 34.882 -2.951 7.044 1.00 39.84 N ATOM 68 CD2 HIS A 118 33.777 -1.120 7.491 1.00 42.45 C ATOM 69 CE1 HIS A 118 33.613 -3.177 6.745 1.00 37.14 C ATOM 70 NE2 HIS A 118 32.922 -2.082 7.001 1.00 36.83 N ATOM 71 H HIS A 118 36.141 -3.595 9.528 1.00 0.00 H ATOM 72 N HIS A 119 35.731 0.142 10.811 1.00 46.18 N ATOM 73 CA HIS A 119 34.888 0.601 11.916 1.00 46.16 C ATOM 74 C HIS A 119 33.546 1.166 11.458 1.00 41.50 C ATOM 75 O HIS A 119 32.573 1.168 12.219 1.00 37.69 O ATOM 76 CB HIS A 119 35.630 1.655 12.743 1.00 49.23 C ATOM 77 CG HIS A 119 36.572 1.080 13.755 1.00 50.75 C ATOM 78 ND1 HIS A 119 37.421 1.861 14.510 1.00 52.86 N ATOM 79 CD2 HIS A 119 36.791 -0.198 14.144 1.00 51.24 C ATOM 80 CE1 HIS A 119 38.128 1.088 15.315 1.00 56.91 C ATOM 81 NE2 HIS A 119 37.763 -0.166 15.115 1.00 55.89 N ATOM 82 H HIS A 119 36.333 0.828 10.312 1.00 0.00 H ATOM 83 N ASN A 120 33.499 1.652 10.222 1.00 41.19 N ATOM 84 CA ASN A 120 32.278 2.228 9.665 1.00 42.13 C ATOM 85 C ASN A 120 31.418 1.170 8.981 1.00 39.59 C ATOM 86 O ASN A 120 31.576 0.902 7.788 1.00 39.25 O ATOM 87 CB ASN A 120 32.611 3.351 8.678 1.00 46.94 C ATOM 88 CG ASN A 120 33.648 2.935 7.635 1.00 60.29 C ATOM 89 OD1 ASN A 120 34.688 2.358 7.963 1.00 64.08 O ATOM 90 ND2 ASN A 120 33.360 3.225 6.371 1.00 62.95 N ATOM 91 HD22 ASN A 120 32.471 3.713 6.139 1.00 0.00 H ATOM 92 HD21 ASN A 120 34.023 2.964 5.614 1.00 0.00 H ATOM 93 H ASN A 120 34.357 1.621 9.634 1.00 0.00 H ATOM 94 N ILE A 121 30.504 0.578 9.747 1.00 32.14 N ATOM 95 CA ILE A 121 29.687 -0.527 9.262 1.00 36.98 C ATOM 96 C ILE A 121 28.445 -0.001 8.547 1.00 35.29 C ATOM 97 O ILE A 121 27.807 0.934 9.015 1.00 35.57 O ATOM 98 CB ILE A 121 29.263 -1.458 10.424 1.00 32.35 C ATOM 99 CG1 ILE A 121 30.484 -1.873 11.250 1.00 32.09 C ATOM 100 CG2 ILE A 121 28.548 -2.692 9.901 1.00 30.22 C ATOM 101 CD1 ILE A 121 31.529 -2.626 10.454 1.00 39.88 C ATOM 102 H ILE A 121 30.369 0.915 10.722 1.00 0.00 H ATOM 103 N THR A 122 28.108 -0.602 7.410 1.00 33.55 N ATOM 104 CA THR A 122 26.900 -0.230 6.682 1.00 29.27 C ATOM 105 C THR A 122 25.858 -1.339 6.733 1.00 25.43 C ATOM 106 O THR A 122 26.206 -2.525 6.828 1.00 25.62 O ATOM 107 CB THR A 122 27.201 0.091 5.198 1.00 29.54 C ATOM 108 OG1 THR A 122 27.833 -1.038 4.579 1.00 29.92 O ATOM 109 CG2 THR A 122 28.134 1.290 5.102 1.00 36.66 C ATOM 110 HG1 THR A 122 28.680 -1.240 5.050 1.00 0.00 H ATOM 111 H THR A 122 28.719 -1.354 7.031 1.00 0.00 H ATOM 112 N TYR A 123 24.581 -0.966 6.649 1.00 24.31 N ATOM 113 CA TYR A 123 23.528 -1.977 6.585 1.00 25.36 C ATOM 114 C TYR A 123 22.401 -1.626 5.618 1.00 27.69 C ATOM 115 O TYR A 123 22.096 -0.451 5.393 1.00 27.67 O ATOM 116 CB TYR A 123 22.964 -2.238 7.978 1.00 24.47 C ATOM 117 CG TYR A 123 22.118 -1.134 8.590 1.00 23.52 C ATOM 118 CD1 TYR A 123 22.705 -0.119 9.347 1.00 31.49 C ATOM 119 CD2 TYR A 123 20.732 -1.148 8.474 1.00 24.68 C ATOM 120 CE1 TYR A 123 21.933 0.872 9.943 1.00 31.51 C ATOM 121 CE2 TYR A 123 19.946 -0.159 9.068 1.00 24.44 C ATOM 122 CZ TYR A 123 20.556 0.850 9.798 1.00 31.80 C ATOM 123 OH TYR A 123 19.788 1.833 10.393 1.00 26.78 O ATOM 124 HH TYR A 123 20.379 2.468 10.870 1.00 0.00 H ATOM 125 H TYR A 123 24.334 0.044 6.629 1.00 0.00 H ATOM 126 N TRP A 124 21.800 -2.668 5.047 1.00 29.45 N ATOM 127 CA TRP A 124 20.741 -2.532 4.053 1.00 22.91 C ATOM 128 C TRP A 124 19.553 -3.358 4.464 1.00 24.39 C ATOM 129 O TRP A 124 19.681 -4.576 4.627 1.00 20.89 O ATOM 130 CB TRP A 124 21.216 -3.001 2.674 1.00 22.74 C ATOM 131 CG TRP A 124 20.176 -2.872 1.575 1.00 29.34 C ATOM 132 CD1 TRP A 124 19.322 -1.821 1.367 1.00 29.54 C ATOM 133 CD2 TRP A 124 19.895 -3.828 0.530 1.00 24.49 C ATOM 134 NE1 TRP A 124 18.531 -2.066 0.259 1.00 28.47 N ATOM 135 CE2 TRP A 124 18.864 -3.288 -0.267 1.00 26.18 C ATOM 136 CE3 TRP A 124 20.418 -5.081 0.195 1.00 29.10 C ATOM 137 CZ2 TRP A 124 18.343 -3.962 -1.377 1.00 31.18 C ATOM 138 CZ3 TRP A 124 19.900 -5.748 -0.906 1.00 31.97 C ATOM 139 CH2 TRP A 124 18.873 -5.188 -1.676 1.00 32.93 C ATOM 140 HE1 TRP A 124 17.801 -1.426 -0.115 1.00 0.00 H ATOM 141 H TRP A 124 22.100 -3.625 5.323 1.00 0.00 H ATOM 142 N ILE A 125 18.404 -2.710 4.635 1.00 20.25 N ATOM 143 CA ILE A 125 17.161 -3.433 4.861 1.00 24.35 C ATOM 144 C ILE A 125 16.609 -3.853 3.493 1.00 25.24 C ATOM 145 O ILE A 125 15.983 -3.061 2.779 1.00 20.91 O ATOM 146 CB ILE A 125 16.137 -2.571 5.644 1.00 18.47 C ATOM 147 CG1 ILE A 125 16.713 -2.163 6.998 1.00 23.93 C ATOM 148 CG2 ILE A 125 14.823 -3.340 5.832 1.00 18.24 C ATOM 149 CD1 ILE A 125 15.850 -1.159 7.756 1.00 26.26 C ATOM 150 H ILE A 125 18.394 -1.670 4.607 1.00 0.00 H ATOM 151 N GLN A 126 16.870 -5.100 3.110 1.00 20.82 N ATOM 152 CA GLN A 126 16.556 -5.541 1.765 1.00 20.11 C ATOM 153 C GLN A 126 15.045 -5.675 1.538 1.00 21.36 C ATOM 154 O GLN A 126 14.542 -5.314 0.468 1.00 22.50 O ATOM 155 CB GLN A 126 17.254 -6.870 1.470 1.00 19.77 C ATOM 156 CG GLN A 126 16.900 -7.450 0.112 1.00 23.98 C ATOM 157 CD GLN A 126 17.828 -8.579 -0.301 1.00 35.48 C ATOM 158 OE1 GLN A 126 18.669 -9.024 0.480 1.00 33.92 O ATOM 159 NE2 GLN A 126 17.685 -9.041 -1.538 1.00 40.04 N ATOM 160 HE22 GLN A 126 16.961 -8.635 -2.164 1.00 0.00 H ATOM 161 HE21 GLN A 126 18.297 -9.809 -1.880 1.00 0.00 H ATOM 162 H GLN A 126 17.303 -5.765 3.782 1.00 0.00 H ATOM 163 N ASN A 127 14.336 -6.196 2.539 1.00 23.80 N ATOM 164 CA ASN A 127 12.879 -6.287 2.472 1.00 21.38 C ATOM 165 C ASN A 127 12.234 -6.141 3.852 1.00 19.77 C ATOM 166 O ASN A 127 12.926 -6.039 4.864 1.00 21.10 O ATOM 167 CB ASN A 127 12.440 -7.608 1.819 1.00 25.17 C ATOM 168 CG ASN A 127 12.559 -8.801 2.757 1.00 24.15 C ATOM 169 OD1 ASN A 127 13.474 -8.874 3.576 1.00 27.48 O ATOM 170 ND2 ASN A 127 11.612 -9.735 2.650 1.00 24.86 N ATOM 171 HD22 ASN A 127 10.857 -9.631 1.942 1.00 0.00 H ATOM 172 HD21 ASN A 127 11.629 -10.567 3.274 1.00 0.00 H ATOM 173 H ASN A 127 14.830 -6.545 3.385 1.00 0.00 H ATOM 174 N TYR A 128 10.901 -6.137 3.885 1.00 21.35 N ATOM 175 CA TYR A 128 10.168 -5.918 5.132 1.00 19.21 C ATOM 176 C TYR A 128 9.121 -6.997 5.435 1.00 21.98 C ATOM 177 O TYR A 128 8.497 -7.536 4.530 1.00 32.96 O ATOM 178 CB TYR A 128 9.425 -4.571 5.101 1.00 21.43 C ATOM 179 CG TYR A 128 10.315 -3.361 5.172 1.00 22.21 C ATOM 180 CD1 TYR A 128 10.627 -2.789 6.390 1.00 24.06 C ATOM 181 CD2 TYR A 128 10.810 -2.773 4.014 1.00 29.30 C ATOM 182 CE1 TYR A 128 11.426 -1.667 6.462 1.00 20.64 C ATOM 183 CE2 TYR A 128 11.615 -1.650 4.075 1.00 24.87 C ATOM 184 CZ TYR A 128 11.915 -1.105 5.308 1.00 24.32 C ATOM 185 OH TYR A 128 12.719 0.009 5.388 1.00 27.65 O ATOM 186 HH TYR A 128 12.832 0.266 6.337 1.00 0.00 H ATOM 187 H TYR A 128 10.370 -6.293 3.004 1.00 0.00 H ATOM 188 N SER A 129 8.926 -7.260 6.721 1.00 19.25 N ATOM 189 CA SER A 129 7.757 -7.995 7.203 1.00 20.60 C ATOM 190 C SER A 129 6.598 -7.025 7.199 1.00 21.79 C ATOM 191 O SER A 129 6.792 -5.824 7.414 1.00 26.76 O ATOM 192 CB SER A 129 8.002 -8.548 8.612 1.00 22.34 C ATOM 193 OG SER A 129 6.800 -9.047 9.192 1.00 22.77 O ATOM 194 HG SER A 129 6.440 -9.775 8.627 1.00 0.00 H ATOM 195 H SER A 129 9.631 -6.931 7.412 1.00 0.00 H ATOM 196 N GLU A 130 5.399 -7.532 6.927 1.00 19.80 N ATOM 197 CA GLU A 130 4.181 -6.724 7.028 1.00 29.43 C ATOM 198 C GLU A 130 3.660 -6.631 8.459 1.00 31.19 C ATOM 199 O GLU A 130 2.690 -5.919 8.715 1.00 29.96 O ATOM 200 CB GLU A 130 3.084 -7.292 6.129 1.00 32.98 C ATOM 201 CG GLU A 130 3.407 -7.261 4.656 1.00 41.01 C ATOM 202 CD GLU A 130 2.253 -7.748 3.804 1.00 51.71 C ATOM 203 OE1 GLU A 130 1.172 -8.035 4.368 1.00 52.95 O ATOM 204 OE2 GLU A 130 2.428 -7.843 2.571 1.00 56.93 O ATOM 205 H GLU A 130 5.324 -8.527 6.635 1.00 0.00 H ATOM 206 N ASP A 131 4.294 -7.354 9.383 1.00 23.71 N ATOM 207 CA ASP A 131 3.844 -7.383 10.776 1.00 25.66 C ATOM 208 C ASP A 131 3.858 -6.013 11.467 1.00 28.83 C ATOM 209 O ASP A 131 3.110 -5.787 12.412 1.00 29.23 O ATOM 210 CB ASP A 131 4.710 -8.325 11.608 1.00 24.86 C ATOM 211 CG ASP A 131 4.537 -9.784 11.244 1.00 28.32 C ATOM 212 OD1 ASP A 131 3.572 -10.134 10.531 1.00 29.41 O ATOM 213 OD2 ASP A 131 5.381 -10.590 11.716 1.00 21.74 O ATOM 214 H ASP A 131 5.128 -7.911 9.107 1.00 0.00 H ATOM 215 N LEU A 132 4.760 -5.137 11.031 1.00 28.82 N ATOM 216 CA LEU A 132 4.920 -3.802 11.608 1.00 22.36 C ATOM 217 C LEU A 132 5.081 -2.801 10.483 1.00 25.75 C ATOM 218 O LEU A 132 5.505 -3.180 9.395 1.00 27.24 O ATOM 219 CB LEU A 132 6.135 -3.751 12.535 1.00 23.37 C ATOM 220 CG LEU A 132 6.126 -4.574 13.824 1.00 23.95 C ATOM 221 CD1 LEU A 132 7.546 -4.654 14.396 1.00 21.24 C ATOM 222 CD2 LEU A 132 5.154 -3.976 14.829 1.00 27.07 C ATOM 223 H LEU A 132 5.380 -5.414 10.243 1.00 0.00 H ATOM 224 N PRO A 133 4.717 -1.527 10.726 1.00 27.88 N ATOM 225 CA PRO A 133 4.955 -0.485 9.722 1.00 24.49 C ATOM 226 C PRO A 133 6.437 -0.343 9.435 1.00 23.44 C ATOM 227 O PRO A 133 7.244 -0.563 10.346 1.00 22.97 O ATOM 228 CB PRO A 133 4.382 0.792 10.380 1.00 29.31 C ATOM 229 CG PRO A 133 3.390 0.288 11.373 1.00 32.96 C ATOM 230 CD PRO A 133 3.940 -1.028 11.875 1.00 30.82 C ATOM 231 N ARG A 134 6.784 -0.003 8.196 1.00 27.69 N ATOM 232 CA ARG A 134 8.192 0.119 7.821 1.00 27.88 C ATOM 233 C ARG A 134 8.953 1.069 8.736 1.00 25.82 C ATOM 234 O ARG A 134 10.098 0.790 9.098 1.00 26.42 O ATOM 235 CB ARG A 134 8.322 0.574 6.368 1.00 33.20 C ATOM 236 CG ARG A 134 7.908 -0.491 5.375 1.00 34.21 C ATOM 237 CD ARG A 134 8.274 -0.094 3.965 1.00 44.47 C ATOM 238 NE ARG A 134 7.979 -1.165 3.019 1.00 50.02 N ATOM 239 CZ ARG A 134 8.488 -1.238 1.793 1.00 55.61 C ATOM 240 NH1 ARG A 134 8.167 -2.252 1.001 1.00 56.18 N ATOM 241 NH2 ARG A 134 9.326 -0.301 1.362 1.00 57.20 N ATOM 242 HE ARG A 134 7.330 -1.919 3.323 1.00 0.00 H ATOM 243 HH12 ARG A 134 8.565 -2.309 0.042 1.00 0.00 H ATOM 244 HH11 ARG A 134 7.517 -2.990 1.339 1.00 0.00 H ATOM 245 HH22 ARG A 134 9.723 -0.360 0.403 1.00 0.00 H ATOM 246 HH21 ARG A 134 9.585 0.491 1.984 1.00 0.00 H ATOM 247 H ARG A 134 6.045 0.178 7.487 1.00 0.00 H ATOM 248 N ALA A 135 8.337 2.187 9.114 1.00 27.89 N ATOM 249 CA ALA A 135 9.047 3.156 9.961 1.00 26.38 C ATOM 250 C ALA A 135 9.352 2.590 11.343 1.00 23.96 C ATOM 251 O ALA A 135 10.363 2.944 11.965 1.00 28.91 O ATOM 252 CB ALA A 135 8.256 4.425 10.094 1.00 31.83 C ATOM 253 H ALA A 135 7.360 2.374 8.812 1.00 0.00 H ATOM 254 N VAL A 136 8.480 1.709 11.822 1.00 25.19 N ATOM 255 CA VAL A 136 8.683 1.079 13.118 1.00 20.53 C ATOM 256 C VAL A 136 9.776 0.039 13.003 1.00 20.71 C ATOM 257 O VAL A 136 10.584 -0.119 13.910 1.00 21.69 O ATOM 258 CB VAL A 136 7.381 0.430 13.654 1.00 24.36 C ATOM 259 CG1 VAL A 136 7.651 -0.308 14.955 1.00 29.65 C ATOM 260 CG2 VAL A 136 6.326 1.493 13.859 1.00 28.11 C ATOM 261 H VAL A 136 7.639 1.466 11.261 1.00 0.00 H ATOM 262 N ILE A 137 9.801 -0.661 11.876 1.00 21.60 N ATOM 263 CA ILE A 137 10.847 -1.646 11.635 1.00 18.40 C ATOM 264 C ILE A 137 12.198 -0.942 11.531 1.00 23.82 C ATOM 265 O ILE A 137 13.174 -1.357 12.167 1.00 19.54 O ATOM 266 CB ILE A 137 10.556 -2.454 10.372 1.00 18.01 C ATOM 267 CG1 ILE A 137 9.430 -3.465 10.669 1.00 20.58 C ATOM 268 CG2 ILE A 137 11.811 -3.209 9.909 1.00 18.32 C ATOM 269 CD1 ILE A 137 8.920 -4.238 9.470 1.00 24.45 C ATOM 270 H ILE A 137 9.066 -0.505 11.157 1.00 0.00 H ATOM 271 N ASP A 138 12.242 0.145 10.762 1.00 21.85 N ATOM 272 CA ASP A 138 13.475 0.927 10.611 1.00 25.96 C ATOM 273 C ASP A 138 14.018 1.357 11.967 1.00 25.28 C ATOM 274 O ASP A 138 15.227 1.282 12.232 1.00 21.74 O ATOM 275 CB ASP A 138 13.234 2.173 9.755 1.00 24.39 C ATOM 276 CG ASP A 138 12.929 1.848 8.303 1.00 30.25 C ATOM 277 OD1 ASP A 138 13.209 0.713 7.862 1.00 29.40 O ATOM 278 OD2 ASP A 138 12.415 2.748 7.598 1.00 33.37 O ATOM 279 H ASP A 138 11.384 0.446 10.258 1.00 0.00 H ATOM 280 N ASP A 139 13.110 1.811 12.820 1.00 21.86 N ATOM 281 CA ASP A 139 13.464 2.292 14.150 1.00 26.52 C ATOM 282 C ASP A 139 13.929 1.177 15.092 1.00 26.45 C ATOM 283 O ASP A 139 14.845 1.380 15.897 1.00 22.71 O ATOM 284 CB ASP A 139 12.283 3.041 14.769 1.00 24.70 C ATOM 285 CG ASP A 139 12.592 3.546 16.161 1.00 35.18 C ATOM 286 OD1 ASP A 139 13.326 4.551 16.280 1.00 34.05 O ATOM 287 OD2 ASP A 139 12.113 2.934 17.138 1.00 33.97 O ATOM 288 H ASP A 139 12.111 1.824 12.530 1.00 0.00 H ATOM 289 N ALA A 140 13.302 0.008 15.001 1.00 24.53 N ATOM 290 CA ALA A 140 13.724 -1.135 15.803 1.00 20.59 C ATOM 291 C ALA A 140 15.171 -1.483 15.469 1.00 21.22 C ATOM 292 O ALA A 140 15.980 -1.682 16.364 1.00 19.92 O ATOM 293 CB ALA A 140 12.802 -2.345 15.573 1.00 19.83 C ATOM 294 H ALA A 140 12.499 -0.093 14.348 1.00 0.00 H ATOM 295 N PHE A 141 15.488 -1.557 14.180 1.00 17.63 N ATOM 296 CA PHE A 141 16.861 -1.858 13.769 1.00 16.84 C ATOM 297 C PHE A 141 17.824 -0.753 14.189 1.00 22.35 C ATOM 298 O PHE A 141 18.963 -1.018 14.637 1.00 20.55 O ATOM 299 CB PHE A 141 16.912 -2.072 12.252 1.00 18.08 C ATOM 300 CG PHE A 141 16.263 -3.364 11.800 1.00 19.20 C ATOM 301 CD1 PHE A 141 16.363 -4.510 12.576 1.00 19.36 C ATOM 302 CD2 PHE A 141 15.568 -3.432 10.583 1.00 18.74 C ATOM 303 CE1 PHE A 141 15.771 -5.710 12.157 1.00 19.63 C ATOM 304 CE2 PHE A 141 14.985 -4.629 10.163 1.00 15.87 C ATOM 305 CZ PHE A 141 15.092 -5.761 10.949 1.00 20.81 C ATOM 306 H PHE A 141 14.756 -1.400 13.458 1.00 0.00 H ATOM 307 N ALA A 142 17.379 0.490 14.043 1.00 19.97 N ATOM 308 CA ALA A 142 18.231 1.620 14.418 1.00 26.89 C ATOM 309 C ALA A 142 18.577 1.560 15.906 1.00 27.05 C ATOM 310 O ALA A 142 19.714 1.808 16.302 1.00 28.33 O ATOM 311 CB ALA A 142 17.545 2.941 14.089 1.00 28.21 C ATOM 312 H ALA A 142 16.426 0.660 13.663 1.00 0.00 H ATOM 313 N ARG A 143 17.577 1.235 16.727 1.00 19.99 N ATOM 314 CA ARG A 143 17.763 1.142 18.170 1.00 18.33 C ATOM 315 C ARG A 143 18.679 -0.007 18.547 1.00 23.50 C ATOM 316 O ARG A 143 19.495 0.109 19.465 1.00 25.87 O ATOM 317 CB ARG A 143 16.403 0.972 18.865 1.00 20.38 C ATOM 318 CG ARG A 143 15.618 2.267 18.973 1.00 20.97 C ATOM 319 CD ARG A 143 14.351 2.092 19.811 1.00 34.09 C ATOM 320 NE ARG A 143 13.353 1.263 19.138 1.00 36.08 N ATOM 321 CZ ARG A 143 12.695 0.252 19.706 1.00 41.72 C ATOM 322 NH1 ARG A 143 12.925 -0.079 20.972 1.00 48.17 N ATOM 323 NH2 ARG A 143 11.802 -0.434 19.004 1.00 36.25 N ATOM 324 HE ARG A 143 13.140 1.477 18.143 1.00 0.00 H ATOM 325 HH12 ARG A 143 12.406 -0.869 21.405 1.00 0.00 H ATOM 326 HH11 ARG A 143 13.624 0.452 21.530 1.00 0.00 H ATOM 327 HH22 ARG A 143 11.288 -1.223 19.446 1.00 0.00 H ATOM 328 HH21 ARG A 143 11.616 -0.183 18.012 1.00 0.00 H ATOM 329 H ARG A 143 16.637 1.042 16.326 1.00 0.00 H ATOM 330 N ALA A 144 18.538 -1.119 17.839 1.00 21.19 N ATOM 331 CA ALA A 144 19.374 -2.279 18.097 1.00 21.02 C ATOM 332 C ALA A 144 20.827 -1.964 17.752 1.00 21.83 C ATOM 333 O ALA A 144 21.748 -2.370 18.473 1.00 26.11 O ATOM 334 CB ALA A 144 18.890 -3.479 17.303 1.00 22.70 C ATOM 335 H ALA A 144 17.819 -1.162 17.089 1.00 0.00 H ATOM 336 N PHE A 145 21.045 -1.250 16.649 1.00 21.77 N ATOM 337 CA PHE A 145 22.420 -0.843 16.311 1.00 23.49 C ATOM 338 C PHE A 145 22.967 0.174 17.319 1.00 27.43 C ATOM 339 O PHE A 145 24.155 0.150 17.666 1.00 24.94 O ATOM 340 CB PHE A 145 22.485 -0.266 14.893 1.00 21.28 C ATOM 341 CG PHE A 145 22.535 -1.315 13.806 1.00 21.61 C ATOM 342 CD1 PHE A 145 23.562 -2.257 13.773 1.00 20.06 C ATOM 343 CD2 PHE A 145 21.568 -1.355 12.812 1.00 23.11 C ATOM 344 CE1 PHE A 145 23.619 -3.205 12.767 1.00 21.01 C ATOM 345 CE2 PHE A 145 21.619 -2.299 11.805 1.00 18.26 C ATOM 346 CZ PHE A 145 22.638 -3.239 11.787 1.00 25.35 C ATOM 347 H PHE A 145 20.252 -0.982 16.032 1.00 0.00 H ATOM 348 N ALA A 146 22.105 1.063 17.800 1.00 23.34 N ATOM 349 CA ALA A 146 22.529 2.091 18.759 1.00 30.65 C ATOM 350 C ALA A 146 23.070 1.485 20.058 1.00 30.39 C ATOM 351 O ALA A 146 23.962 2.050 20.712 1.00 28.58 O ATOM 352 CB ALA A 146 21.372 3.034 19.064 1.00 32.14 C ATOM 353 H ALA A 146 21.112 1.030 17.492 1.00 0.00 H ATOM 354 N LEU A 147 22.516 0.334 20.423 1.00 27.35 N ATOM 355 CA LEU A 147 22.940 -0.403 21.601 1.00 26.86 C ATOM 356 C LEU A 147 24.416 -0.787 21.508 1.00 24.00 C ATOM 357 O LEU A 147 25.176 -0.622 22.460 1.00 28.07 O ATOM 358 CB LEU A 147 22.063 -1.647 21.753 1.00 32.70 C ATOM 359 CG LEU A 147 21.907 -2.360 23.093 1.00 34.11 C ATOM 360 CD1 LEU A 147 21.435 -1.395 24.193 1.00 24.79 C ATOM 361 CD2 LEU A 147 20.931 -3.514 22.922 1.00 29.78 C ATOM 362 H LEU A 147 21.747 -0.056 19.841 1.00 0.00 H ATOM 363 N TRP A 148 24.808 -1.293 20.341 1.00 25.45 N ATOM 364 CA TRP A 148 26.190 -1.735 20.142 1.00 26.23 C ATOM 365 C TRP A 148 27.127 -0.585 19.826 1.00 33.81 C ATOM 366 O TRP A 148 28.316 -0.634 20.161 1.00 30.17 O ATOM 367 CB TRP A 148 26.254 -2.774 19.011 1.00 29.63 C ATOM 368 CG TRP A 148 25.599 -4.074 19.358 1.00 29.65 C ATOM 369 CD1 TRP A 148 24.474 -4.611 18.788 1.00 26.87 C ATOM 370 CD2 TRP A 148 26.025 -5.003 20.362 1.00 27.76 C ATOM 371 NE1 TRP A 148 24.177 -5.825 19.377 1.00 24.58 N ATOM 372 CE2 TRP A 148 25.114 -6.081 20.350 1.00 24.73 C ATOM 373 CE3 TRP A 148 27.086 -5.025 21.278 1.00 27.45 C ATOM 374 CZ2 TRP A 148 25.242 -7.174 21.211 1.00 24.42 C ATOM 375 CZ3 TRP A 148 27.210 -6.110 22.130 1.00 27.35 C ATOM 376 CH2 TRP A 148 26.289 -7.165 22.095 1.00 30.21 C ATOM 377 HE1 TRP A 148 23.378 -6.442 19.126 1.00 0.00 H ATOM 378 H TRP A 148 24.125 -1.375 19.561 1.00 0.00 H ATOM 379 N SER A 149 26.623 0.453 19.171 1.00 24.75 N ATOM 380 CA SER A 149 27.522 1.551 18.832 1.00 33.68 C ATOM 381 C SER A 149 27.950 2.327 20.077 1.00 31.66 C ATOM 382 O SER A 149 29.058 2.868 20.119 1.00 30.16 O ATOM 383 CB SER A 149 26.880 2.489 17.809 1.00 35.95 C ATOM 384 OG SER A 149 25.756 3.136 18.351 1.00 36.05 O ATOM 385 HG SER A 149 25.087 2.459 18.624 1.00 0.00 H ATOM 386 H SER A 149 25.617 0.483 18.907 1.00 0.00 H ATOM 387 N ALA A 150 27.091 2.377 21.098 1.00 27.62 N ATOM 388 CA ALA A 150 27.438 3.082 22.334 1.00 29.86 C ATOM 389 C ALA A 150 28.684 2.510 23.015 1.00 31.97 C ATOM 390 O ALA A 150 29.435 3.235 23.673 1.00 32.15 O ATOM 391 CB ALA A 150 26.261 3.051 23.310 1.00 28.59 C ATOM 392 H ALA A 150 26.165 1.910 21.015 1.00 0.00 H ATOM 393 N VAL A 151 28.901 1.209 22.857 1.00 29.50 N ATOM 394 CA VAL A 151 29.947 0.514 23.606 1.00 31.06 C ATOM 395 C VAL A 151 31.088 -0.012 22.728 1.00 36.09 C ATOM 396 O VAL A 151 31.883 -0.837 23.175 1.00 35.82 O ATOM 397 CB VAL A 151 29.338 -0.658 24.406 1.00 33.22 C ATOM 398 CG1 VAL A 151 28.289 -0.126 25.396 1.00 30.07 C ATOM 399 CG2 VAL A 151 28.695 -1.673 23.478 1.00 32.68 C ATOM 400 H VAL A 151 28.314 0.673 22.186 1.00 0.00 H ATOM 401 N THR A 152 31.171 0.472 21.490 1.00 35.56 N ATOM 402 CA THR A 152 32.224 0.046 20.555 1.00 38.16 C ATOM 403 C THR A 152 32.811 1.239 19.794 1.00 44.02 C ATOM 404 O THR A 152 32.262 2.341 19.842 1.00 35.10 O ATOM 405 CB THR A 152 31.692 -0.982 19.530 1.00 36.37 C ATOM 406 OG1 THR A 152 30.692 -0.368 18.712 1.00 30.23 O ATOM 407 CG2 THR A 152 31.107 -2.200 20.216 1.00 40.60 C ATOM 408 HG1 THR A 152 29.946 -0.055 19.283 1.00 0.00 H ATOM 409 H THR A 152 30.470 1.173 21.175 1.00 0.00 H ATOM 410 N PRO A 153 33.943 1.034 19.092 1.00 41.41 N ATOM 411 CA PRO A 153 34.391 2.094 18.185 1.00 38.97 C ATOM 412 C PRO A 153 33.698 2.014 16.822 1.00 38.55 C ATOM 413 O PRO A 153 34.197 2.580 15.848 1.00 44.73 O ATOM 414 CB PRO A 153 35.891 1.821 18.045 1.00 42.06 C ATOM 415 CG PRO A 153 36.006 0.349 18.193 1.00 43.84 C ATOM 416 CD PRO A 153 34.940 -0.049 19.202 1.00 45.50 C ATOM 417 N LEU A 154 32.566 1.319 16.754 1.00 36.05 N ATOM 418 CA LEU A 154 31.888 1.120 15.476 1.00 38.96 C ATOM 419 C LEU A 154 30.764 2.127 15.268 1.00 32.17 C ATOM 420 O LEU A 154 30.157 2.605 16.233 1.00 31.88 O ATOM 421 CB LEU A 154 31.325 -0.301 15.381 1.00 32.46 C ATOM 422 CG LEU A 154 32.285 -1.471 15.602 1.00 35.89 C ATOM 423 CD1 LEU A 154 31.553 -2.792 15.459 1.00 40.71 C ATOM 424 CD2 LEU A 154 33.457 -1.399 14.642 1.00 35.49 C ATOM 425 H LEU A 154 32.159 0.913 17.621 1.00 0.00 H ATOM 426 N THR A 155 30.502 2.460 14.008 1.00 32.27 N ATOM 427 CA THR A 155 29.301 3.213 13.654 1.00 32.34 C ATOM 428 C THR A 155 28.474 2.389 12.679 1.00 29.36 C ATOM 429 O THR A 155 29.012 1.523 11.973 1.00 32.63 O ATOM 430 CB THR A 155 29.615 4.572 13.018 1.00 36.12 C ATOM 431 OG1 THR A 155 30.270 4.376 11.754 1.00 42.32 O ATOM 432 CG2 THR A 155 30.503 5.416 13.945 1.00 40.24 C ATOM 433 HG1 THR A 155 29.676 3.861 11.152 1.00 0.00 H ATOM 434 H THR A 155 31.166 2.179 13.258 1.00 0.00 H ATOM 435 N PHE A 156 27.170 2.655 12.639 1.00 31.49 N ATOM 436 CA PHE A 156 26.261 1.915 11.765 1.00 35.76 C ATOM 437 C PHE A 156 25.462 2.878 10.895 1.00 32.49 C ATOM 438 O PHE A 156 24.691 3.690 11.402 1.00 34.40 O ATOM 439 CB PHE A 156 25.341 1.013 12.596 1.00 29.58 C ATOM 440 CG PHE A 156 26.092 -0.001 13.406 1.00 23.84 C ATOM 441 CD1 PHE A 156 26.685 -1.091 12.785 1.00 26.69 C ATOM 442 CD2 PHE A 156 26.250 0.162 14.777 1.00 26.32 C ATOM 443 CE1 PHE A 156 27.410 -2.019 13.512 1.00 28.30 C ATOM 444 CE2 PHE A 156 26.987 -0.752 15.519 1.00 29.92 C ATOM 445 CZ PHE A 156 27.566 -1.848 14.887 1.00 28.57 C ATOM 446 H PHE A 156 26.788 3.409 13.245 1.00 0.00 H ATOM 447 N THR A 157 25.674 2.784 9.583 1.00 28.47 N ATOM 448 CA THR A 157 25.062 3.689 8.616 1.00 29.81 C ATOM 449 C THR A 157 24.149 2.942 7.651 1.00 32.02 C ATOM 450 O THR A 157 24.585 1.993 6.997 1.00 30.74 O ATOM 451 CB THR A 157 26.123 4.426 7.793 1.00 34.70 C ATOM 452 OG1 THR A 157 27.053 5.077 8.669 1.00 38.31 O ATOM 453 CG2 THR A 157 25.463 5.449 6.882 1.00 35.79 C ATOM 454 HG1 THR A 157 27.494 4.401 9.242 1.00 0.00 H ATOM 455 H THR A 157 26.303 2.033 9.233 1.00 0.00 H ATOM 456 N ARG A 158 22.891 3.370 7.563 1.00 26.54 N ATOM 457 CA ARG A 158 21.925 2.709 6.687 1.00 32.06 C ATOM 458 C ARG A 158 22.174 3.089 5.236 1.00 32.22 C ATOM 459 O ARG A 158 22.401 4.255 4.929 1.00 33.06 O ATOM 460 CB ARG A 158 20.489 3.065 7.070 1.00 29.94 C ATOM 461 CG ARG A 158 19.449 2.359 6.194 1.00 30.55 C ATOM 462 CD ARG A 158 18.026 2.708 6.590 1.00 29.13 C ATOM 463 NE ARG A 158 17.055 2.062 5.707 1.00 27.53 N ATOM 464 CZ ARG A 158 15.747 2.293 5.753 1.00 29.29 C ATOM 465 NH1 ARG A 158 15.262 3.157 6.641 1.00 34.02 N ATOM 466 NH2 ARG A 158 14.930 1.671 4.918 1.00 31.69 N ATOM 467 HE ARG A 158 17.408 1.383 5.003 1.00 0.00 H ATOM 468 HH12 ARG A 158 14.239 3.342 6.682 1.00 0.00 H ATOM 469 HH11 ARG A 158 15.906 3.647 7.294 1.00 0.00 H ATOM 470 HH22 ARG A 158 13.907 1.855 4.958 1.00 0.00 H ATOM 471 HH21 ARG A 158 15.311 0.998 4.222 1.00 0.00 H ATOM 472 H ARG A 158 22.590 4.190 8.128 1.00 0.00 H ATOM 473 N VAL A 159 22.141 2.101 4.349 1.00 33.42 N ATOM 474 CA VAL A 159 22.336 2.359 2.929 1.00 34.38 C ATOM 475 C VAL A 159 21.281 1.622 2.124 1.00 27.83 C ATOM 476 O VAL A 159 20.567 0.758 2.649 1.00 27.00 O ATOM 477 CB VAL A 159 23.740 1.935 2.434 1.00 29.99 C ATOM 478 CG1 VAL A 159 24.829 2.784 3.098 1.00 31.51 C ATOM 479 CG2 VAL A 159 23.991 0.452 2.668 1.00 32.31 C ATOM 480 H VAL A 159 21.973 1.127 4.674 1.00 0.00 H ATOM 481 N TYR A 160 21.194 1.981 0.845 1.00 29.61 N ATOM 482 CA TYR A 160 20.251 1.360 -0.076 1.00 31.17 C ATOM 483 C TYR A 160 21.062 0.744 -1.192 1.00 33.75 C ATOM 484 O TYR A 160 20.976 1.158 -2.348 1.00 35.95 O ATOM 485 CB TYR A 160 19.249 2.383 -0.612 1.00 38.02 C ATOM 486 CG TYR A 160 18.482 3.073 0.490 1.00 34.95 C ATOM 487 CD1 TYR A 160 17.345 2.489 1.038 1.00 35.77 C ATOM 488 CD2 TYR A 160 18.897 4.297 0.992 1.00 36.33 C ATOM 489 CE1 TYR A 160 16.645 3.105 2.049 1.00 35.26 C ATOM 490 CE2 TYR A 160 18.199 4.923 2.012 1.00 34.00 C ATOM 491 CZ TYR A 160 17.071 4.318 2.532 1.00 36.59 C ATOM 492 OH TYR A 160 16.360 4.919 3.542 1.00 41.82 O ATOM 493 HH TYR A 160 15.590 4.347 3.787 1.00 0.00 H ATOM 494 H TYR A 160 21.821 2.731 0.491 1.00 0.00 H ATOM 495 N SER A 161 21.850 -0.256 -0.817 1.00 33.56 N ATOM 496 CA SER A 161 22.829 -0.860 -1.699 1.00 35.87 C ATOM 497 C SER A 161 23.084 -2.306 -1.310 1.00 29.05 C ATOM 498 O SER A 161 23.108 -2.642 -0.124 1.00 27.41 O ATOM 499 CB SER A 161 24.137 -0.076 -1.652 1.00 43.46 C ATOM 500 OG SER A 161 25.205 -0.860 -2.150 1.00 44.33 O ATOM 501 HG SER A 161 25.016 -1.115 -3.088 1.00 0.00 H ATOM 502 H SER A 161 21.761 -0.622 0.152 1.00 0.00 H ATOM 503 N ARG A 162 23.291 -3.156 -2.312 1.00 34.83 N ATOM 504 CA ARG A 162 23.560 -4.566 -2.056 1.00 39.63 C ATOM 505 C ARG A 162 24.982 -4.749 -1.525 1.00 39.91 C ATOM 506 O ARG A 162 25.345 -5.834 -1.084 1.00 44.20 O ATOM 507 CB ARG A 162 23.338 -5.398 -3.329 1.00 39.58 C ATOM 508 CG ARG A 162 21.925 -5.273 -3.898 1.00 36.65 C ATOM 509 CD ARG A 162 21.667 -6.204 -5.100 1.00 35.34 C ATOM 510 NE ARG A 162 20.433 -5.836 -5.793 1.00 33.96 N ATOM 511 CZ ARG A 162 19.223 -6.311 -5.499 1.00 31.12 C ATOM 512 NH1 ARG A 162 19.061 -7.208 -4.529 1.00 31.73 N ATOM 513 NH2 ARG A 162 18.167 -5.899 -6.193 1.00 34.74 N ATOM 514 HE ARG A 162 20.505 -5.153 -6.574 1.00 0.00 H ATOM 515 HH12 ARG A 162 18.111 -7.571 -4.309 1.00 0.00 H ATOM 516 HH11 ARG A 162 19.884 -7.546 -3.991 1.00 0.00 H ATOM 517 HH22 ARG A 162 17.221 -6.267 -5.967 1.00 0.00 H ATOM 518 HH21 ARG A 162 18.287 -5.209 -6.962 1.00 0.00 H ATOM 519 H ARG A 162 23.261 -2.810 -3.292 1.00 0.00 H ATOM 520 N ASP A 163 25.766 -3.673 -1.560 1.00 36.81 N ATOM 521 CA ASP A 163 27.164 -3.680 -1.118 1.00 43.73 C ATOM 522 C ASP A 163 27.321 -3.514 0.398 1.00 40.05 C ATOM 523 O ASP A 163 28.442 -3.418 0.907 1.00 37.22 O ATOM 524 CB ASP A 163 27.955 -2.562 -1.805 1.00 45.96 C ATOM 525 CG ASP A 163 27.840 -2.593 -3.315 1.00 50.30 C ATOM 526 OD1 ASP A 163 27.774 -3.694 -3.905 1.00 52.83 O ATOM 527 OD2 ASP A 163 27.825 -1.499 -3.914 1.00 51.81 O ATOM 528 H ASP A 163 25.366 -2.783 -1.919 1.00 0.00 H ATOM 529 N ALA A 164 26.206 -3.452 1.110 1.00 31.59 N ATOM 530 CA ALA A 164 26.237 -3.195 2.548 1.00 31.25 C ATOM 531 C ALA A 164 26.937 -4.320 3.298 1.00 33.50 C ATOM 532 O ALA A 164 26.904 -5.466 2.867 1.00 33.79 O ATOM 533 CB ALA A 164 24.835 -3.005 3.077 1.00 25.77 C ATOM 534 H ALA A 164 25.290 -3.589 0.636 1.00 0.00 H ATOM 535 N ASP A 165 27.583 -3.988 4.415 1.00 28.36 N ATOM 536 CA ASP A 165 28.229 -5.007 5.231 1.00 27.46 C ATOM 537 C ASP A 165 27.173 -5.962 5.759 1.00 25.19 C ATOM 538 O ASP A 165 27.248 -7.168 5.552 1.00 28.19 O ATOM 539 CB ASP A 165 28.996 -4.387 6.395 1.00 31.25 C ATOM 540 CG ASP A 165 30.141 -3.500 5.938 1.00 35.83 C ATOM 541 OD1 ASP A 165 30.914 -3.919 5.053 1.00 37.40 O ATOM 542 OD2 ASP A 165 30.265 -2.380 6.468 1.00 35.35 O ATOM 543 H ASP A 165 27.626 -2.991 4.707 1.00 0.00 H ATOM 544 N ILE A 166 26.194 -5.403 6.452 1.00 26.44 N ATOM 545 CA ILE A 166 25.132 -6.213 7.041 1.00 23.70 C ATOM 546 C ILE A 166 23.844 -6.102 6.218 1.00 27.08 C ATOM 547 O ILE A 166 23.162 -5.079 6.261 1.00 25.09 O ATOM 548 CB ILE A 166 24.838 -5.811 8.502 1.00 20.82 C ATOM 549 CG1 ILE A 166 26.104 -6.005 9.356 1.00 28.68 C ATOM 550 CG2 ILE A 166 23.666 -6.652 9.058 1.00 20.18 C ATOM 551 CD1 ILE A 166 25.950 -5.608 10.809 1.00 30.56 C ATOM 552 H ILE A 166 26.181 -4.371 6.579 1.00 0.00 H ATOM 553 N VAL A 167 23.544 -7.146 5.451 1.00 23.98 N ATOM 554 CA VAL A 167 22.286 -7.203 4.701 1.00 23.42 C ATOM 555 C VAL A 167 21.218 -7.842 5.584 1.00 24.30 C ATOM 556 O VAL A 167 21.422 -8.917 6.137 1.00 27.22 O ATOM 557 CB VAL A 167 22.439 -7.987 3.372 1.00 20.96 C ATOM 558 CG1 VAL A 167 21.093 -8.084 2.642 1.00 23.29 C ATOM 559 CG2 VAL A 167 23.491 -7.330 2.489 1.00 28.65 C ATOM 560 H VAL A 167 24.215 -7.938 5.382 1.00 0.00 H ATOM 561 N ILE A 168 20.085 -7.154 5.718 1.00 19.18 N ATOM 562 CA ILE A 168 18.968 -7.605 6.555 1.00 19.64 C ATOM 563 C ILE A 168 17.807 -8.126 5.704 1.00 21.97 C ATOM 564 O ILE A 168 17.366 -7.455 4.769 1.00 19.81 O ATOM 565 CB ILE A 168 18.476 -6.457 7.460 1.00 18.04 C ATOM 566 CG1 ILE A 168 19.573 -6.079 8.460 1.00 22.54 C ATOM 567 CG2 ILE A 168 17.156 -6.841 8.152 1.00 19.96 C ATOM 568 CD1 ILE A 168 19.295 -4.771 9.189 1.00 24.64 C ATOM 569 H ILE A 168 19.988 -6.255 5.205 1.00 0.00 H ATOM 570 N GLN A 169 17.340 -9.334 6.006 1.00 18.12 N ATOM 571 CA GLN A 169 16.222 -9.939 5.268 1.00 19.09 C ATOM 572 C GLN A 169 15.195 -10.561 6.196 1.00 22.66 C ATOM 573 O GLN A 169 15.550 -11.149 7.211 1.00 21.87 O ATOM 574 CB GLN A 169 16.716 -11.037 4.320 1.00 21.14 C ATOM 575 CG GLN A 169 17.607 -10.601 3.164 1.00 24.48 C ATOM 576 CD GLN A 169 18.129 -11.808 2.396 1.00 33.44 C ATOM 577 OE1 GLN A 169 17.865 -12.953 2.780 1.00 30.92 O ATOM 578 NE2 GLN A 169 18.879 -11.562 1.320 1.00 38.29 N ATOM 579 HE22 GLN A 169 19.074 -10.581 1.035 1.00 0.00 H ATOM 580 HE21 GLN A 169 19.268 -12.351 0.766 1.00 0.00 H ATOM 581 H GLN A 169 17.778 -9.865 6.786 1.00 0.00 H ATOM 582 N PHE A 170 13.921 -10.448 5.819 1.00 20.01 N ATOM 583 CA PHE A 170 12.870 -11.288 6.381 1.00 19.48 C ATOM 584 C PHE A 170 12.573 -12.398 5.371 1.00 20.12 C ATOM 585 O PHE A 170 12.410 -12.129 4.177 1.00 22.78 O ATOM 586 CB PHE A 170 11.600 -10.483 6.666 1.00 19.15 C ATOM 587 CG PHE A 170 11.771 -9.419 7.730 1.00 18.74 C ATOM 588 CD1 PHE A 170 12.273 -8.158 7.412 1.00 20.63 C ATOM 589 CD2 PHE A 170 11.383 -9.673 9.045 1.00 20.16 C ATOM 590 CE1 PHE A 170 12.387 -7.164 8.409 1.00 16.07 C ATOM 591 CE2 PHE A 170 11.495 -8.699 10.048 1.00 17.13 C ATOM 592 CZ PHE A 170 12.024 -7.440 9.727 1.00 15.19 C ATOM 593 H PHE A 170 13.669 -9.738 5.102 1.00 0.00 H ATOM 594 N GLY A 171 12.501 -13.639 5.835 1.00 21.65 N ATOM 595 CA GLY A 171 12.183 -14.743 4.939 1.00 23.66 C ATOM 596 C GLY A 171 11.594 -15.926 5.688 1.00 19.36 C ATOM 597 O GLY A 171 11.609 -15.945 6.920 1.00 19.90 O ATOM 598 H GLY A 171 12.673 -13.825 6.844 1.00 0.00 H ATOM 599 N VAL A 172 11.055 -16.904 4.956 1.00 23.36 N ATOM 600 CA VAL A 172 10.544 -18.112 5.598 1.00 20.19 C ATOM 601 C VAL A 172 11.190 -19.368 5.016 1.00 24.04 C ATOM 602 O VAL A 172 11.665 -19.357 3.872 1.00 25.28 O ATOM 603 CB VAL A 172 9.016 -18.235 5.456 1.00 22.37 C ATOM 604 CG1 VAL A 172 8.318 -16.989 5.995 1.00 26.08 C ATOM 605 CG2 VAL A 172 8.614 -18.490 4.007 1.00 26.79 C ATOM 606 H VAL A 172 10.999 -16.805 3.922 1.00 0.00 H ATOM 607 N ALA A 173 11.200 -20.437 5.809 1.00 26.13 N ATOM 608 CA ALA A 173 11.666 -21.750 5.354 1.00 30.10 C ATOM 609 C ALA A 173 13.044 -21.659 4.695 1.00 29.94 C ATOM 610 O ALA A 173 13.904 -20.938 5.182 1.00 26.86 O ATOM 611 CB ALA A 173 10.647 -22.364 4.406 1.00 31.42 C ATOM 612 H ALA A 173 10.865 -20.337 6.788 1.00 0.00 H ATOM 613 N GLU A 174 13.267 -22.386 3.602 1.00 27.70 N ATOM 614 CA GLU A 174 14.517 -22.223 2.860 1.00 29.84 C ATOM 615 C GLU A 174 14.455 -20.914 2.075 1.00 29.39 C ATOM 616 O GLU A 174 13.615 -20.750 1.184 1.00 29.11 O ATOM 617 CB GLU A 174 14.778 -23.411 1.923 1.00 31.29 C ATOM 618 CG GLU A 174 15.934 -23.191 0.945 1.00 34.52 C ATOM 619 CD GLU A 174 17.240 -22.772 1.620 1.00 36.28 C ATOM 620 OE1 GLU A 174 17.591 -23.325 2.685 1.00 32.18 O ATOM 621 OE2 GLU A 174 17.920 -21.874 1.079 1.00 35.26 O ATOM 622 H GLU A 174 12.553 -23.069 3.276 1.00 0.00 H ATOM 623 N HIS A 175 15.340 -19.980 2.422 1.00 28.32 N ATOM 624 CA HIS A 175 15.278 -18.627 1.883 1.00 26.63 C ATOM 625 C HIS A 175 16.567 -18.226 1.175 1.00 28.58 C ATOM 626 O HIS A 175 16.873 -17.046 1.039 1.00 28.09 O ATOM 627 CB HIS A 175 14.954 -17.629 2.999 1.00 27.44 C ATOM 628 CG HIS A 175 15.861 -17.743 4.185 1.00 23.80 C ATOM 629 ND1 HIS A 175 15.609 -18.600 5.236 1.00 22.51 N ATOM 630 CD2 HIS A 175 17.018 -17.103 4.492 1.00 21.03 C ATOM 631 CE1 HIS A 175 16.575 -18.497 6.130 1.00 27.14 C ATOM 632 NE2 HIS A 175 17.446 -17.601 5.700 1.00 20.82 N ATOM 633 H HIS A 175 16.095 -20.223 3.095 1.00 0.00 H ATOM 634 N GLY A 176 17.328 -19.220 0.731 1.00 26.70 N ATOM 635 CA GLY A 176 18.410 -18.956 -0.197 1.00 31.51 C ATOM 636 C GLY A 176 19.828 -19.115 0.311 1.00 35.61 C ATOM 637 O GLY A 176 20.764 -18.879 -0.452 1.00 36.96 O ATOM 638 H GLY A 176 17.147 -20.193 1.051 1.00 0.00 H ATOM 639 N ASP A 177 20.015 -19.512 1.569 1.00 32.31 N ATOM 640 CA ASP A 177 21.385 -19.694 2.069 1.00 30.86 C ATOM 641 C ASP A 177 21.670 -21.081 2.630 1.00 34.86 C ATOM 642 O ASP A 177 22.748 -21.323 3.162 1.00 37.07 O ATOM 643 CB ASP A 177 21.725 -18.647 3.134 1.00 23.42 C ATOM 644 CG ASP A 177 20.733 -18.635 4.312 1.00 23.47 C ATOM 645 OD1 ASP A 177 19.970 -19.611 4.494 1.00 28.26 O ATOM 646 OD2 ASP A 177 20.747 -17.641 5.073 1.00 25.29 O ATOM 647 H ASP A 177 19.200 -19.691 2.190 1.00 0.00 H ATOM 648 N GLY A 178 20.715 -21.992 2.513 1.00 35.25 N ATOM 649 CA GLY A 178 20.947 -23.361 2.931 1.00 38.88 C ATOM 650 C GLY A 178 20.752 -23.612 4.413 1.00 37.77 C ATOM 651 O GLY A 178 20.916 -24.743 4.873 1.00 35.89 O ATOM 652 H GLY A 178 19.791 -21.723 2.118 1.00 0.00 H ATOM 653 N TYR A 179 20.411 -22.564 5.162 1.00 31.84 N ATOM 654 CA TYR A 179 20.038 -22.702 6.570 1.00 28.98 C ATOM 655 C TYR A 179 18.581 -22.309 6.741 1.00 29.97 C ATOM 656 O TYR A 179 18.281 -21.181 7.116 1.00 30.02 O ATOM 657 CB TYR A 179 20.927 -21.840 7.475 1.00 30.34 C ATOM 658 CG TYR A 179 22.385 -22.242 7.438 1.00 38.99 C ATOM 659 CD1 TYR A 179 22.846 -23.317 8.185 1.00 46.58 C ATOM 660 CD2 TYR A 179 23.296 -21.552 6.648 1.00 43.53 C ATOM 661 CE1 TYR A 179 24.181 -23.698 8.148 1.00 49.73 C ATOM 662 CE2 TYR A 179 24.637 -21.925 6.606 1.00 47.89 C ATOM 663 CZ TYR A 179 25.071 -22.996 7.360 1.00 50.94 C ATOM 664 OH TYR A 179 26.398 -23.370 7.323 1.00 56.12 O ATOM 665 HH TYR A 179 26.537 -24.150 7.917 1.00 0.00 H ATOM 666 H TYR A 179 20.410 -21.617 4.732 1.00 0.00 H ATOM 667 N PRO A 180 17.668 -23.247 6.462 1.00 31.40 N ATOM 668 CA PRO A 180 16.233 -22.943 6.444 1.00 28.84 C ATOM 669 C PRO A 180 15.657 -22.660 7.826 1.00 30.22 C ATOM 670 O PRO A 180 16.075 -23.251 8.825 1.00 31.34 O ATOM 671 CB PRO A 180 15.616 -24.218 5.864 1.00 33.46 C ATOM 672 CG PRO A 180 16.554 -25.288 6.288 1.00 35.29 C ATOM 673 CD PRO A 180 17.931 -24.676 6.217 1.00 34.24 C ATOM 674 N PHE A 181 14.695 -21.743 7.870 1.00 25.06 N ATOM 675 CA PHE A 181 13.892 -21.536 9.054 1.00 22.67 C ATOM 676 C PHE A 181 12.828 -22.633 9.153 1.00 28.03 C ATOM 677 O PHE A 181 12.759 -23.520 8.290 1.00 28.23 O ATOM 678 CB PHE A 181 13.270 -20.128 9.032 1.00 22.93 C ATOM 679 CG PHE A 181 14.273 -19.013 9.233 1.00 21.09 C ATOM 680 CD1 PHE A 181 15.278 -19.129 10.182 1.00 24.80 C ATOM 681 CD2 PHE A 181 14.200 -17.847 8.474 1.00 24.79 C ATOM 682 CE1 PHE A 181 16.197 -18.102 10.383 1.00 26.00 C ATOM 683 CE2 PHE A 181 15.116 -16.811 8.664 1.00 18.70 C ATOM 684 CZ PHE A 181 16.126 -16.949 9.618 1.00 22.25 C ATOM 685 H PHE A 181 14.515 -21.158 7.029 1.00 0.00 H ATOM 686 N ASP A 182 12.000 -22.573 10.191 1.00 25.83 N ATOM 687 CA ASP A 182 11.234 -23.752 10.621 1.00 27.77 C ATOM 688 C ASP A 182 9.773 -23.489 10.954 1.00 30.22 C ATOM 689 O ASP A 182 9.151 -24.274 11.675 1.00 35.06 O ATOM 690 CB ASP A 182 11.909 -24.371 11.849 1.00 29.40 C ATOM 691 CG ASP A 182 12.071 -23.377 12.992 1.00 30.05 C ATOM 692 OD1 ASP A 182 11.764 -22.172 12.807 1.00 24.75 O ATOM 693 OD2 ASP A 182 12.526 -23.792 14.079 1.00 28.19 O ATOM 694 H ASP A 182 11.892 -21.677 10.708 1.00 0.00 H ATOM 695 N GLY A 183 9.217 -22.401 10.436 1.00 31.15 N ATOM 696 CA GLY A 183 7.845 -22.048 10.759 1.00 27.00 C ATOM 697 C GLY A 183 7.750 -21.397 12.123 1.00 27.94 C ATOM 698 O GLY A 183 8.760 -20.941 12.656 1.00 23.69 O ATOM 699 H GLY A 183 9.768 -21.796 9.794 1.00 0.00 H ATOM 700 N LYS A 184 6.548 -21.344 12.696 1.00 25.63 N ATOM 701 CA LYS A 184 6.329 -20.550 13.909 1.00 26.41 C ATOM 702 C LYS A 184 7.145 -21.072 15.094 1.00 28.92 C ATOM 703 O LYS A 184 7.261 -22.286 15.283 1.00 30.97 O ATOM 704 CB LYS A 184 4.841 -20.516 14.279 1.00 37.53 C ATOM 705 CG LYS A 184 4.466 -19.341 15.191 1.00 44.12 C ATOM 706 CD LYS A 184 2.962 -19.261 15.433 1.00 51.97 C ATOM 707 CE LYS A 184 2.538 -20.031 16.682 1.00 55.77 C ATOM 708 NZ LYS A 184 3.042 -19.385 17.931 1.00 53.85 N ATOM 709 HZ1 LYS A 184 4.081 -19.349 17.906 1.00 0.00 H ATOM 710 HZ2 LYS A 184 2.662 -18.419 17.998 1.00 0.00 H ATOM 711 HZ3 LYS A 184 2.732 -19.938 18.755 1.00 0.00 H ATOM 712 H LYS A 184 5.756 -21.872 12.278 1.00 0.00 H ATOM 713 N ASP A 185 7.719 -20.137 15.852 1.00 29.96 N ATOM 714 CA ASP A 185 8.582 -20.422 16.997 1.00 26.86 C ATOM 715 C ASP A 185 9.797 -21.264 16.592 1.00 30.77 C ATOM 716 O ASP A 185 10.168 -21.285 15.428 1.00 30.39 O ATOM 717 CB ASP A 185 7.769 -21.085 18.099 1.00 34.22 C ATOM 718 CG ASP A 185 6.508 -20.310 18.402 1.00 35.17 C ATOM 719 OD1 ASP A 185 6.631 -19.135 18.822 1.00 32.68 O ATOM 720 OD2 ASP A 185 5.402 -20.853 18.200 1.00 33.88 O ATOM 721 H ASP A 185 7.541 -19.141 15.613 1.00 0.00 H ATOM 722 N GLY A 186 10.422 -21.951 17.545 1.00 31.80 N ATOM 723 CA GLY A 186 11.700 -22.585 17.260 1.00 33.76 C ATOM 724 C GLY A 186 12.729 -21.510 16.934 1.00 27.17 C ATOM 725 O GLY A 186 12.886 -20.545 17.690 1.00 28.51 O ATOM 726 H GLY A 186 9.998 -22.034 18.491 1.00 0.00 H ATOM 727 N LEU A 187 13.430 -21.675 15.814 1.00 25.98 N ATOM 728 CA LEU A 187 14.400 -20.687 15.352 1.00 24.60 C ATOM 729 C LEU A 187 13.706 -19.366 15.057 1.00 24.27 C ATOM 730 O LEU A 187 12.671 -19.352 14.387 1.00 26.25 O ATOM 731 CB LEU A 187 15.118 -21.183 14.095 1.00 31.02 C ATOM 732 CG LEU A 187 15.870 -22.511 14.191 1.00 31.07 C ATOM 733 CD1 LEU A 187 16.321 -22.959 12.807 1.00 33.95 C ATOM 734 CD2 LEU A 187 17.058 -22.394 15.154 1.00 37.64 C ATOM 735 H LEU A 187 13.282 -22.536 15.250 1.00 0.00 H ATOM 736 N LEU A 188 14.274 -18.263 15.546 1.00 19.57 N ATOM 737 CA LEU A 188 13.689 -16.939 15.328 1.00 19.67 C ATOM 738 C LEU A 188 14.399 -16.177 14.224 1.00 25.17 C ATOM 739 O LEU A 188 13.784 -15.399 13.507 1.00 21.58 O ATOM 740 CB LEU A 188 13.736 -16.110 16.608 1.00 21.23 C ATOM 741 CG LEU A 188 13.116 -16.763 17.843 1.00 22.67 C ATOM 742 CD1 LEU A 188 13.418 -15.948 19.101 1.00 20.61 C ATOM 743 CD2 LEU A 188 11.619 -16.928 17.633 1.00 23.85 C ATOM 744 H LEU A 188 15.153 -18.345 16.095 1.00 0.00 H ATOM 745 N ALA A 189 15.704 -16.387 14.110 1.00 19.09 N ATOM 746 CA ALA A 189 16.536 -15.561 13.254 1.00 19.43 C ATOM 747 C ALA A 189 17.933 -16.134 13.277 1.00 20.42 C ATOM 748 O ALA A 189 18.227 -16.990 14.105 1.00 21.27 O ATOM 749 CB ALA A 189 16.554 -14.095 13.743 1.00 21.07 C ATOM 750 H ALA A 189 16.142 -17.163 14.647 1.00 0.00 H ATOM 751 N HIS A 190 18.791 -15.664 12.373 1.00 20.39 N ATOM 752 CA HIS A 190 20.205 -16.018 12.444 1.00 21.91 C ATOM 753 C HIS A 190 21.059 -14.967 11.739 1.00 22.47 C ATOM 754 O HIS A 190 20.549 -14.157 10.957 1.00 20.94 O ATOM 755 CB HIS A 190 20.458 -17.428 11.879 1.00 24.09 C ATOM 756 CG HIS A 190 20.090 -17.620 10.434 1.00 26.95 C ATOM 757 ND1 HIS A 190 19.689 -18.844 9.940 1.00 25.42 N ATOM 758 CD2 HIS A 190 20.099 -16.775 9.373 1.00 22.11 C ATOM 759 CE1 HIS A 190 19.456 -18.745 8.642 1.00 28.16 C ATOM 760 NE2 HIS A 190 19.700 -17.500 8.271 1.00 25.70 N ATOM 761 H HIS A 190 18.451 -15.041 11.612 1.00 0.00 H ATOM 762 N ALA A 191 22.356 -14.963 12.042 1.00 21.07 N ATOM 763 CA ALA A 191 23.270 -13.991 11.461 1.00 22.21 C ATOM 764 C ALA A 191 24.652 -14.599 11.298 1.00 26.19 C ATOM 765 O ALA A 191 25.080 -15.413 12.118 1.00 29.76 O ATOM 766 CB ALA A 191 23.342 -12.747 12.315 1.00 25.54 C ATOM 767 H ALA A 191 22.724 -15.671 12.709 1.00 0.00 H ATOM 768 N PHE A 192 25.345 -14.198 10.236 1.00 24.27 N ATOM 769 CA PHE A 192 26.663 -14.748 9.937 1.00 24.96 C ATOM 770 C PHE A 192 27.758 -13.883 10.536 1.00 25.58 C ATOM 771 O PHE A 192 27.621 -12.664 10.604 1.00 26.40 O ATOM 772 CB PHE A 192 26.861 -14.881 8.422 1.00 27.65 C ATOM 773 CG PHE A 192 25.881 -15.815 7.771 1.00 32.67 C ATOM 774 CD1 PHE A 192 24.608 -15.380 7.441 1.00 31.45 C ATOM 775 CD2 PHE A 192 26.226 -17.137 7.509 1.00 36.98 C ATOM 776 CE1 PHE A 192 23.696 -16.236 6.855 1.00 31.94 C ATOM 777 CE2 PHE A 192 25.314 -18.003 6.917 1.00 39.48 C ATOM 778 CZ PHE A 192 24.048 -17.549 6.589 1.00 42.21 C ATOM 779 H PHE A 192 24.939 -13.477 9.606 1.00 0.00 H ATOM 780 N PRO A 193 28.866 -14.522 10.952 1.00 27.25 N ATOM 781 CA PRO A 193 30.050 -13.825 11.473 1.00 31.72 C ATOM 782 C PRO A 193 30.571 -12.811 10.450 1.00 30.32 C ATOM 783 O PRO A 193 30.265 -12.942 9.270 1.00 31.20 O ATOM 784 CB PRO A 193 31.070 -14.956 11.683 1.00 40.17 C ATOM 785 CG PRO A 193 30.284 -16.226 11.657 1.00 44.31 C ATOM 786 CD PRO A 193 29.094 -15.970 10.792 1.00 35.47 C ATOM 787 N PRO A 194 31.377 -11.831 10.891 1.00 33.94 N ATOM 788 CA PRO A 194 31.913 -10.814 9.977 1.00 38.17 C ATOM 789 C PRO A 194 32.684 -11.391 8.781 1.00 33.22 C ATOM 790 O PRO A 194 33.267 -12.478 8.856 1.00 35.68 O ATOM 791 CB PRO A 194 32.852 -10.002 10.876 1.00 43.40 C ATOM 792 CG PRO A 194 32.278 -10.161 12.244 1.00 39.04 C ATOM 793 CD PRO A 194 31.761 -11.573 12.290 1.00 33.85 C ATOM 794 N GLY A 195 32.661 -10.654 7.676 1.00 34.58 N ATOM 795 CA GLY A 195 33.368 -11.049 6.471 1.00 42.25 C ATOM 796 C GLY A 195 32.636 -10.530 5.250 1.00 34.49 C ATOM 797 O GLY A 195 31.701 -9.745 5.371 1.00 37.96 O ATOM 798 H GLY A 195 32.119 -9.766 7.674 1.00 0.00 H ATOM 799 N PRO A 196 33.066 -10.956 4.057 1.00 36.18 N ATOM 800 CA PRO A 196 32.445 -10.494 2.815 1.00 39.84 C ATOM 801 C PRO A 196 31.231 -11.327 2.425 1.00 35.63 C ATOM 802 O PRO A 196 31.041 -12.427 2.944 1.00 35.60 O ATOM 803 CB PRO A 196 33.571 -10.651 1.789 1.00 41.17 C ATOM 804 CG PRO A 196 34.381 -11.784 2.307 1.00 45.78 C ATOM 805 CD PRO A 196 34.338 -11.659 3.815 1.00 39.24 C ATOM 806 N GLY A 197 30.416 -10.793 1.519 1.00 43.22 N ATOM 807 CA GLY A 197 29.260 -11.513 1.003 1.00 38.14 C ATOM 808 C GLY A 197 28.215 -11.815 2.054 1.00 37.32 C ATOM 809 O GLY A 197 27.799 -10.930 2.797 1.00 34.10 O ATOM 810 H GLY A 197 30.610 -9.833 1.169 1.00 0.00 H ATOM 811 N ILE A 198 27.796 -13.076 2.117 1.00 35.21 N ATOM 812 CA ILE A 198 26.781 -13.514 3.071 1.00 30.12 C ATOM 813 C ILE A 198 27.239 -13.236 4.507 1.00 29.93 C ATOM 814 O ILE A 198 26.416 -12.999 5.385 1.00 30.95 O ATOM 815 CB ILE A 198 26.456 -15.023 2.892 1.00 39.67 C ATOM 816 CG1 ILE A 198 25.217 -15.429 3.690 1.00 40.88 C ATOM 817 CG2 ILE A 198 27.648 -15.896 3.267 1.00 38.67 C ATOM 818 CD1 ILE A 198 23.919 -15.014 3.056 1.00 43.39 C ATOM 819 H ILE A 198 28.206 -13.774 1.464 1.00 0.00 H ATOM 820 N GLN A 199 28.551 -13.220 4.735 1.00 28.30 N ATOM 821 CA GLN A 199 29.067 -12.969 6.073 1.00 28.05 C ATOM 822 C GLN A 199 28.593 -11.609 6.595 1.00 29.07 C ATOM 823 O GLN A 199 28.525 -10.639 5.852 1.00 30.33 O ATOM 824 CB GLN A 199 30.593 -13.045 6.074 1.00 30.75 C ATOM 825 CG GLN A 199 31.136 -14.325 5.482 1.00 40.31 C ATOM 826 CD GLN A 199 30.859 -15.528 6.351 1.00 43.33 C ATOM 827 OE1 GLN A 199 30.690 -15.407 7.567 1.00 42.24 O ATOM 828 NE2 GLN A 199 30.810 -16.702 5.735 1.00 49.45 N ATOM 829 HE22 GLN A 199 30.959 -16.757 4.707 1.00 0.00 H ATOM 830 HE21 GLN A 199 30.623 -17.568 6.280 1.00 0.00 H ATOM 831 H GLN A 199 29.213 -13.388 3.950 1.00 0.00 H ATOM 832 N GLY A 200 28.258 -11.545 7.875 1.00 26.46 N ATOM 833 CA GLY A 200 27.719 -10.322 8.450 1.00 27.73 C ATOM 834 C GLY A 200 26.219 -10.113 8.269 1.00 26.06 C ATOM 835 O GLY A 200 25.637 -9.256 8.929 1.00 24.98 O ATOM 836 H GLY A 200 28.382 -12.383 8.479 1.00 0.00 H ATOM 837 N ASP A 201 25.582 -10.886 7.394 1.00 25.62 N ATOM 838 CA ASP A 201 24.156 -10.663 7.113 1.00 25.90 C ATOM 839 C ASP A 201 23.244 -11.214 8.210 1.00 27.02 C ATOM 840 O ASP A 201 23.599 -12.162 8.907 1.00 25.07 O ATOM 841 CB ASP A 201 23.782 -11.280 5.767 1.00 21.74 C ATOM 842 CG ASP A 201 24.447 -10.577 4.589 1.00 23.56 C ATOM 843 OD1 ASP A 201 25.269 -9.655 4.813 1.00 27.24 O ATOM 844 OD2 ASP A 201 24.153 -10.970 3.434 1.00 27.65 O ATOM 845 H ASP A 201 26.094 -11.650 6.908 1.00 0.00 H ATOM 846 N ALA A 202 22.058 -10.619 8.346 1.00 21.76 N ATOM 847 CA ALA A 202 21.128 -10.979 9.414 1.00 21.73 C ATOM 848 C ALA A 202 19.737 -11.247 8.842 1.00 22.27 C ATOM 849 O ALA A 202 19.181 -10.406 8.142 1.00 20.26 O ATOM 850 CB ALA A 202 21.067 -9.885 10.462 1.00 22.75 C ATOM 851 H ALA A 202 21.787 -9.876 7.671 1.00 0.00 H ATOM 852 N HIS A 203 19.199 -12.432 9.129 1.00 20.30 N ATOM 853 CA HIS A 203 17.924 -12.878 8.573 1.00 19.99 C ATOM 854 C HIS A 203 16.907 -13.176 9.671 1.00 18.12 C ATOM 855 O HIS A 203 17.239 -13.787 10.681 1.00 18.30 O ATOM 856 CB HIS A 203 18.109 -14.137 7.727 1.00 19.51 C ATOM 857 CG HIS A 203 19.032 -13.957 6.566 1.00 22.48 C ATOM 858 ND1 HIS A 203 19.633 -15.021 5.927 1.00 22.32 N ATOM 859 CD2 HIS A 203 19.467 -12.842 5.935 1.00 21.89 C ATOM 860 CE1 HIS A 203 20.391 -14.570 4.943 1.00 23.63 C ATOM 861 NE2 HIS A 203 20.310 -13.250 4.928 1.00 24.26 N ATOM 862 H HIS A 203 19.709 -13.066 9.777 1.00 0.00 H ATOM 863 N PHE A 204 15.666 -12.754 9.452 1.00 17.59 N ATOM 864 CA PHE A 204 14.618 -12.931 10.448 1.00 18.91 C ATOM 865 C PHE A 204 13.499 -13.810 9.904 1.00 15.79 C ATOM 866 O PHE A 204 13.028 -13.599 8.778 1.00 19.83 O ATOM 867 CB PHE A 204 14.075 -11.568 10.877 1.00 14.93 C ATOM 868 CG PHE A 204 15.126 -10.697 11.529 1.00 17.87 C ATOM 869 CD1 PHE A 204 16.034 -10.012 10.740 1.00 16.55 C ATOM 870 CD2 PHE A 204 15.222 -10.608 12.920 1.00 19.70 C ATOM 871 CE1 PHE A 204 17.040 -9.235 11.316 1.00 18.87 C ATOM 872 CE2 PHE A 204 16.228 -9.820 13.516 1.00 19.53 C ATOM 873 CZ PHE A 204 17.135 -9.136 12.706 1.00 17.81 C ATOM 874 H PHE A 204 15.438 -12.288 8.551 1.00 0.00 H ATOM 875 N ASP A 205 13.072 -14.782 10.712 1.00 19.84 N ATOM 876 CA ASP A 205 12.037 -15.728 10.311 1.00 21.09 C ATOM 877 C ASP A 205 10.670 -15.052 10.321 1.00 20.29 C ATOM 878 O ASP A 205 10.134 -14.743 11.389 1.00 20.48 O ATOM 879 CB ASP A 205 12.054 -16.928 11.260 1.00 19.23 C ATOM 880 CG ASP A 205 11.140 -18.062 10.804 1.00 22.62 C ATOM 881 OD1 ASP A 205 10.359 -17.876 9.840 1.00 22.14 O ATOM 882 OD2 ASP A 205 11.221 -19.142 11.410 1.00 23.27 O ATOM 883 H ASP A 205 13.491 -14.868 11.660 1.00 0.00 H ATOM 884 N ASP A 206 10.100 -14.838 9.140 1.00 17.93 N ATOM 885 CA ASP A 206 8.839 -14.097 9.074 1.00 16.81 C ATOM 886 C ASP A 206 7.644 -14.988 9.375 1.00 22.70 C ATOM 887 O ASP A 206 6.506 -14.528 9.370 1.00 20.76 O ATOM 888 CB ASP A 206 8.680 -13.411 7.718 1.00 18.21 C ATOM 889 CG ASP A 206 7.815 -12.147 7.807 1.00 21.60 C ATOM 890 OD1 ASP A 206 7.457 -11.741 8.941 1.00 22.36 O ATOM 891 OD2 ASP A 206 7.502 -11.565 6.752 1.00 26.95 O ATOM 892 H ASP A 206 10.546 -15.194 8.270 1.00 0.00 H ATOM 893 N ASP A 207 7.888 -16.259 9.680 1.00 20.07 N ATOM 894 CA ASP A 207 6.790 -17.068 10.217 1.00 19.90 C ATOM 895 C ASP A 207 6.564 -16.739 11.705 1.00 22.56 C ATOM 896 O ASP A 207 5.596 -17.206 12.308 1.00 24.33 O ATOM 897 CB ASP A 207 7.054 -18.567 10.009 1.00 21.39 C ATOM 898 CG ASP A 207 6.626 -19.045 8.620 1.00 26.69 C ATOM 899 OD1 ASP A 207 5.702 -18.429 8.046 1.00 24.12 O ATOM 900 OD2 ASP A 207 7.201 -20.030 8.102 1.00 26.27 O ATOM 901 H ASP A 207 8.834 -16.669 9.541 1.00 0.00 H ATOM 902 N GLU A 208 7.451 -15.929 12.294 1.00 20.57 N ATOM 903 CA GLU A 208 7.182 -15.386 13.622 1.00 22.36 C ATOM 904 C GLU A 208 6.321 -14.144 13.481 1.00 19.83 C ATOM 905 O GLU A 208 6.330 -13.508 12.425 1.00 23.69 O ATOM 906 CB GLU A 208 8.470 -15.012 14.370 1.00 23.04 C ATOM 907 CG GLU A 208 9.533 -16.065 14.404 1.00 24.22 C ATOM 908 CD GLU A 208 9.025 -17.414 14.869 1.00 26.17 C ATOM 909 OE1 GLU A 208 7.985 -17.496 15.579 1.00 31.02 O ATOM 910 OE2 GLU A 208 9.683 -18.406 14.509 1.00 31.41 O ATOM 911 H GLU A 208 8.335 -15.685 11.804 1.00 0.00 H ATOM 912 N LEU A 209 5.603 -13.786 14.544 1.00 20.87 N ATOM 913 CA LEU A 209 4.959 -12.487 14.606 1.00 21.69 C ATOM 914 C LEU A 209 5.913 -11.485 15.254 1.00 24.22 C ATOM 915 O LEU A 209 6.237 -11.592 16.440 1.00 20.40 O ATOM 916 CB LEU A 209 3.625 -12.573 15.372 1.00 24.19 C ATOM 917 CG LEU A 209 2.798 -11.283 15.448 1.00 24.46 C ATOM 918 CD1 LEU A 209 2.367 -10.812 14.062 1.00 31.81 C ATOM 919 CD2 LEU A 209 1.598 -11.487 16.338 1.00 37.28 C ATOM 920 H LEU A 209 5.502 -14.447 15.341 1.00 0.00 H ATOM 921 N TRP A 210 6.370 -10.522 14.459 1.00 20.83 N ATOM 922 CA TRP A 210 7.314 -9.525 14.932 1.00 20.81 C ATOM 923 C TRP A 210 6.527 -8.403 15.552 1.00 20.22 C ATOM 924 O TRP A 210 5.536 -7.922 14.977 1.00 27.18 O ATOM 925 CB TRP A 210 8.231 -9.051 13.781 1.00 21.59 C ATOM 926 CG TRP A 210 9.095 -10.193 13.357 1.00 21.89 C ATOM 927 CD1 TRP A 210 8.985 -10.940 12.210 1.00 17.94 C ATOM 928 CD2 TRP A 210 10.139 -10.794 14.137 1.00 19.40 C ATOM 929 NE1 TRP A 210 9.936 -11.957 12.224 1.00 20.02 N ATOM 930 CE2 TRP A 210 10.638 -11.887 13.400 1.00 18.43 C ATOM 931 CE3 TRP A 210 10.689 -10.519 15.405 1.00 21.70 C ATOM 932 CZ2 TRP A 210 11.680 -12.690 13.872 1.00 20.47 C ATOM 933 CZ3 TRP A 210 11.727 -11.321 15.870 1.00 17.94 C ATOM 934 CH2 TRP A 210 12.209 -12.392 15.104 1.00 22.98 C ATOM 935 HE1 TRP A 210 10.089 -12.654 11.468 1.00 0.00 H ATOM 936 H TRP A 210 6.043 -10.482 13.473 1.00 0.00 H ATOM 937 N SER A 211 6.934 -8.018 16.757 1.00 24.50 N ATOM 938 CA SER A 211 6.241 -6.968 17.493 1.00 22.13 C ATOM 939 C SER A 211 7.208 -6.134 18.315 1.00 20.14 C ATOM 940 O SER A 211 8.424 -6.144 18.071 1.00 22.76 O ATOM 941 CB SER A 211 5.174 -7.569 18.414 1.00 32.93 C ATOM 942 OG SER A 211 5.771 -8.405 19.392 1.00 35.82 O ATOM 943 HG SER A 211 5.067 -8.783 19.976 1.00 0.00 H ATOM 944 H SER A 211 7.765 -8.476 17.184 1.00 0.00 H ATOM 945 N LEU A 212 6.653 -5.446 19.284 1.00 23.55 N ATOM 946 CA LEU A 212 7.430 -4.694 20.235 1.00 39.20 C ATOM 947 C LEU A 212 7.679 -5.559 21.476 1.00 50.95 C ATOM 948 O LEU A 212 8.196 -5.103 22.453 1.00 53.41 O ATOM 949 CB LEU A 212 6.780 -3.388 20.600 1.00 48.28 C ATOM 950 CG LEU A 212 6.526 -2.553 19.364 1.00 41.45 C ATOM 951 CD1 LEU A 212 5.743 -1.289 19.671 1.00 47.19 C ATOM 952 CD2 LEU A 212 7.857 -2.275 18.690 1.00 48.18 C ATOM 953 H LEU A 212 5.616 -5.443 19.368 1.00 0.00 H ATOM 954 N GLY A 213 7.216 -6.795 21.419 1.00 47.06 N ATOM 955 CA GLY A 213 7.419 -7.801 22.413 1.00 46.50 C ATOM 956 C GLY A 213 6.623 -7.702 23.683 1.00 46.60 C ATOM 957 O GLY A 213 6.544 -8.666 24.416 1.00 53.03 O ATOM 958 H GLY A 213 6.658 -7.057 20.582 1.00 0.00 H ATOM 959 N LYS A 214 6.017 -6.561 23.933 1.00 40.38 N ATOM 960 CA LYS A 214 5.209 -6.433 25.138 1.00 39.33 C ATOM 961 C LYS A 214 3.962 -7.305 25.073 1.00 49.39 C ATOM 962 O LYS A 214 3.562 -7.890 26.034 1.00 59.60 O ATOM 963 CB LYS A 214 4.885 -5.015 25.441 1.00 42.26 C ATOM 964 CG LYS A 214 4.174 -4.879 26.769 1.00 50.36 C ATOM 965 CD LYS A 214 5.114 -4.769 27.961 1.00 52.25 C ATOM 966 CE LYS A 214 4.290 -4.506 29.194 1.00 56.77 C ATOM 967 NZ LYS A 214 3.688 -3.162 29.047 1.00 60.79 N ATOM 968 HZ1 LYS A 214 4.444 -2.453 28.956 1.00 0.00 H ATOM 969 HZ2 LYS A 214 3.089 -3.143 28.197 1.00 0.00 H ATOM 970 HZ3 LYS A 214 3.110 -2.949 29.885 1.00 0.00 H ATOM 971 H LYS A 214 6.114 -5.760 23.277 1.00 0.00 H ATOM 972 N GLY A 215 3.375 -7.380 23.913 1.00 51.38 N ATOM 973 CA GLY A 215 2.232 -8.224 23.704 1.00 47.73 C ATOM 974 C GLY A 215 2.618 -9.528 23.037 1.00 50.46 C ATOM 975 O GLY A 215 3.652 -10.120 23.330 1.00 51.23 O ATOM 976 H GLY A 215 3.742 -6.816 23.120 1.00 0.00 H ATOM 977 N VAL A 216 1.775 -9.993 22.138 1.00 41.52 N ATOM 978 CA VAL A 216 2.008 -11.233 21.450 1.00 33.73 C ATOM 979 C VAL A 216 3.179 -11.118 20.484 1.00 32.46 C ATOM 980 O VAL A 216 3.413 -10.081 19.980 1.00 37.10 O ATOM 981 CB VAL A 216 0.738 -11.630 20.682 1.00 46.02 C ATOM 982 CG1 VAL A 216 0.478 -10.668 19.555 1.00 35.63 C ATOM 983 CG2 VAL A 216 0.808 -13.038 20.174 1.00 41.37 C ATOM 984 H VAL A 216 0.917 -9.448 21.920 1.00 0.00 H ATOM 985 N GLY A 217 3.901 -12.191 20.269 1.00 28.53 N ATOM 986 CA GLY A 217 5.019 -12.175 19.340 1.00 28.02 C ATOM 987 C GLY A 217 6.389 -12.012 19.979 1.00 25.32 C ATOM 988 O GLY A 217 6.554 -12.163 21.192 1.00 25.32 O ATOM 989 H GLY A 217 3.669 -13.071 20.773 1.00 0.00 H ATOM 990 N TYR A 218 7.369 -11.717 19.136 1.00 19.45 N ATOM 991 CA TYR A 218 8.746 -11.512 19.577 1.00 18.00 C ATOM 992 C TYR A 218 9.158 -10.067 19.321 1.00 19.30 C ATOM 993 O TYR A 218 8.880 -9.528 18.250 1.00 20.59 O ATOM 994 CB TYR A 218 9.694 -12.460 18.844 1.00 21.25 C ATOM 995 CG TYR A 218 9.440 -13.907 19.183 1.00 23.62 C ATOM 996 CD1 TYR A 218 10.036 -14.494 20.298 1.00 24.65 C ATOM 997 CD2 TYR A 218 8.573 -14.676 18.417 1.00 25.27 C ATOM 998 CE1 TYR A 218 9.780 -15.824 20.634 1.00 23.47 C ATOM 999 CE2 TYR A 218 8.316 -16.019 18.742 1.00 25.51 C ATOM 1000 CZ TYR A 218 8.923 -16.579 19.852 1.00 28.56 C ATOM 1001 OH TYR A 218 8.676 -17.905 20.174 1.00 30.24 O ATOM 1002 HH TYR A 218 7.708 -18.029 20.339 1.00 0.00 H ATOM 1003 H TYR A 218 7.149 -11.628 18.123 1.00 0.00 H ATOM 1004 N SER A 219 9.883 -9.472 20.267 1.00 23.11 N ATOM 1005 CA SER A 219 10.409 -8.118 20.072 1.00 21.69 C ATOM 1006 C SER A 219 11.438 -8.079 18.962 1.00 22.56 C ATOM 1007 O SER A 219 12.464 -8.733 19.063 1.00 17.55 O ATOM 1008 CB SER A 219 11.037 -7.581 21.364 1.00 21.81 C ATOM 1009 OG SER A 219 11.865 -6.452 21.066 1.00 17.63 O ATOM 1010 HG SER A 219 12.268 -6.109 21.903 1.00 0.00 H ATOM 1011 H SER A 219 10.078 -9.975 21.156 1.00 0.00 H ATOM 1012 N LEU A 220 11.176 -7.310 17.907 1.00 18.71 N ATOM 1013 CA LEU A 220 12.110 -7.213 16.793 1.00 15.48 C ATOM 1014 C LEU A 220 13.387 -6.518 17.268 1.00 15.88 C ATOM 1015 O LEU A 220 14.469 -6.879 16.848 1.00 18.64 O ATOM 1016 CB LEU A 220 11.482 -6.463 15.613 1.00 16.95 C ATOM 1017 CG LEU A 220 12.360 -6.268 14.370 1.00 20.69 C ATOM 1018 CD1 LEU A 220 12.868 -7.617 13.833 1.00 19.18 C ATOM 1019 CD2 LEU A 220 11.561 -5.486 13.302 1.00 17.18 C ATOM 1020 H LEU A 220 10.288 -6.769 17.878 1.00 0.00 H ATOM 1021 N PHE A 221 13.233 -5.537 18.166 1.00 18.61 N ATOM 1022 CA PHE A 221 14.385 -4.834 18.749 1.00 19.25 C ATOM 1023 C PHE A 221 15.345 -5.794 19.456 1.00 18.16 C ATOM 1024 O PHE A 221 16.558 -5.802 19.182 1.00 19.03 O ATOM 1025 CB PHE A 221 13.900 -3.749 19.727 1.00 20.17 C ATOM 1026 CG PHE A 221 14.986 -3.229 20.656 1.00 17.85 C ATOM 1027 CD1 PHE A 221 16.041 -2.469 20.163 1.00 22.90 C ATOM 1028 CD2 PHE A 221 14.942 -3.503 22.008 1.00 22.99 C ATOM 1029 CE1 PHE A 221 17.036 -1.995 21.011 1.00 25.67 C ATOM 1030 CE2 PHE A 221 15.927 -3.036 22.865 1.00 27.19 C ATOM 1031 CZ PHE A 221 16.976 -2.282 22.365 1.00 25.66 C ATOM 1032 H PHE A 221 12.273 -5.265 18.459 1.00 0.00 H ATOM 1033 N LEU A 222 14.804 -6.605 20.367 1.00 19.59 N ATOM 1034 CA LEU A 222 15.639 -7.518 21.150 1.00 20.68 C ATOM 1035 C LEU A 222 16.252 -8.592 20.267 1.00 17.39 C ATOM 1036 O LEU A 222 17.450 -8.913 20.379 1.00 18.15 O ATOM 1037 CB LEU A 222 14.831 -8.174 22.280 1.00 20.11 C ATOM 1038 CG LEU A 222 14.461 -7.264 23.449 1.00 24.18 C ATOM 1039 CD1 LEU A 222 13.531 -7.980 24.437 1.00 25.57 C ATOM 1040 CD2 LEU A 222 15.713 -6.750 24.149 1.00 27.97 C ATOM 1041 H LEU A 222 13.776 -6.588 20.523 1.00 0.00 H ATOM 1042 N VAL A 223 15.461 -9.173 19.371 1.00 18.05 N ATOM 1043 CA VAL A 223 16.028 -10.249 18.557 1.00 15.16 C ATOM 1044 C VAL A 223 17.078 -9.670 17.608 1.00 17.17 C ATOM 1045 O VAL A 223 18.138 -10.280 17.411 1.00 19.75 O ATOM 1046 CB VAL A 223 14.929 -11.028 17.773 1.00 20.74 C ATOM 1047 CG1 VAL A 223 15.554 -12.061 16.831 1.00 22.49 C ATOM 1048 CG2 VAL A 223 13.973 -11.719 18.753 1.00 18.07 C ATOM 1049 H VAL A 223 14.472 -8.873 19.252 1.00 0.00 H ATOM 1050 N ALA A 224 16.816 -8.484 17.051 1.00 19.86 N ATOM 1051 CA ALA A 224 17.804 -7.844 16.171 1.00 20.22 C ATOM 1052 C ALA A 224 19.070 -7.504 16.941 1.00 22.69 C ATOM 1053 O ALA A 224 20.165 -7.645 16.414 1.00 21.42 O ATOM 1054 CB ALA A 224 17.239 -6.588 15.526 1.00 21.15 C ATOM 1055 H ALA A 224 15.909 -8.012 17.241 1.00 0.00 H ATOM 1056 N ALA A 225 18.932 -7.036 18.179 1.00 18.52 N ATOM 1057 CA ALA A 225 20.132 -6.664 18.947 1.00 17.83 C ATOM 1058 C ALA A 225 21.007 -7.899 19.143 1.00 23.24 C ATOM 1059 O ALA A 225 22.240 -7.853 19.001 1.00 22.84 O ATOM 1060 CB ALA A 225 19.727 -6.052 20.287 1.00 19.36 C ATOM 1061 H ALA A 225 17.986 -6.934 18.600 1.00 0.00 H ATOM 1062 N HIS A 226 20.363 -9.013 19.453 1.00 20.76 N ATOM 1063 CA HIS A 226 21.061 -10.294 19.611 1.00 20.10 C ATOM 1064 C HIS A 226 21.773 -10.698 18.319 1.00 27.03 C ATOM 1065 O HIS A 226 22.976 -11.020 18.319 1.00 24.56 O ATOM 1066 CB HIS A 226 20.054 -11.380 20.029 1.00 20.55 C ATOM 1067 CG HIS A 226 20.650 -12.747 20.176 1.00 22.28 C ATOM 1068 ND1 HIS A 226 21.129 -13.231 21.375 1.00 27.72 N ATOM 1069 CD2 HIS A 226 20.797 -13.748 19.277 1.00 23.47 C ATOM 1070 CE1 HIS A 226 21.570 -14.469 21.199 1.00 23.30 C ATOM 1071 NE2 HIS A 226 21.377 -14.802 19.935 1.00 22.19 N ATOM 1072 H HIS A 226 19.332 -8.979 19.589 1.00 0.00 H ATOM 1073 N GLU A 227 21.031 -10.667 17.212 1.00 22.79 N ATOM 1074 CA GLU A 227 21.590 -11.081 15.925 1.00 25.05 C ATOM 1075 C GLU A 227 22.731 -10.176 15.477 1.00 22.72 C ATOM 1076 O GLU A 227 23.720 -10.666 14.953 1.00 24.22 O ATOM 1077 CB GLU A 227 20.488 -11.126 14.860 1.00 22.16 C ATOM 1078 CG GLU A 227 19.427 -12.198 15.138 1.00 21.23 C ATOM 1079 CD GLU A 227 20.009 -13.604 15.310 1.00 23.01 C ATOM 1080 OE1 GLU A 227 21.100 -13.906 14.750 1.00 22.96 O ATOM 1081 OE2 GLU A 227 19.364 -14.415 16.019 1.00 23.54 O ATOM 1082 H GLU A 227 20.044 -10.345 17.264 1.00 0.00 H ATOM 1083 N PHE A 228 22.609 -8.871 15.706 1.00 20.69 N ATOM 1084 CA PHE A 228 23.700 -7.950 15.356 1.00 27.13 C ATOM 1085 C PHE A 228 24.936 -8.271 16.200 1.00 28.24 C ATOM 1086 O PHE A 228 26.079 -8.172 15.723 1.00 25.64 O ATOM 1087 CB PHE A 228 23.257 -6.493 15.532 1.00 22.73 C ATOM 1088 CG PHE A 228 22.123 -6.085 14.610 1.00 19.45 C ATOM 1089 CD1 PHE A 228 21.814 -6.839 13.474 1.00 20.85 C ATOM 1090 CD2 PHE A 228 21.400 -4.937 14.865 1.00 17.01 C ATOM 1091 CE1 PHE A 228 20.771 -6.465 12.627 1.00 22.73 C ATOM 1092 CE2 PHE A 228 20.350 -4.550 14.019 1.00 20.88 C ATOM 1093 CZ PHE A 228 20.041 -5.326 12.894 1.00 20.33 C ATOM 1094 H PHE A 228 21.737 -8.501 16.135 1.00 0.00 H ATOM 1095 N GLY A 229 24.713 -8.691 17.444 1.00 26.41 N ATOM 1096 CA GLY A 229 25.793 -9.262 18.245 1.00 25.02 C ATOM 1097 C GLY A 229 26.543 -10.348 17.479 1.00 30.68 C ATOM 1098 O GLY A 229 27.768 -10.300 17.365 1.00 26.91 O ATOM 1099 H GLY A 229 23.759 -8.612 17.850 1.00 0.00 H ATOM 1100 N HIS A 230 25.823 -11.330 16.941 1.00 26.00 N ATOM 1101 CA HIS A 230 26.492 -12.388 16.163 1.00 28.84 C ATOM 1102 C HIS A 230 27.211 -11.820 14.940 1.00 30.76 C ATOM 1103 O HIS A 230 28.312 -12.268 14.588 1.00 33.47 O ATOM 1104 CB HIS A 230 25.508 -13.463 15.695 1.00 26.27 C ATOM 1105 CG HIS A 230 24.991 -14.349 16.785 1.00 26.52 C ATOM 1106 ND1 HIS A 230 25.816 -15.032 17.655 1.00 27.49 N ATOM 1107 CD2 HIS A 230 23.724 -14.694 17.119 1.00 22.39 C ATOM 1108 CE1 HIS A 230 25.078 -15.741 18.494 1.00 30.71 C ATOM 1109 NE2 HIS A 230 23.806 -15.554 18.190 1.00 27.15 N ATOM 1110 H HIS A 230 24.791 -11.351 17.069 1.00 0.00 H ATOM 1111 N ALA A 231 26.585 -10.836 14.301 1.00 25.51 N ATOM 1112 CA ALA A 231 27.100 -10.227 13.074 1.00 26.32 C ATOM 1113 C ALA A 231 28.357 -9.390 13.313 1.00 26.33 C ATOM 1114 O ALA A 231 29.053 -9.056 12.357 1.00 29.36 O ATOM 1115 CB ALA A 231 26.030 -9.364 12.423 1.00 27.94 C ATOM 1116 H ALA A 231 25.688 -10.483 14.691 1.00 0.00 H ATOM 1117 N LEU A 232 28.621 -9.034 14.571 1.00 27.38 N ATOM 1118 CA LEU A 232 29.881 -8.365 14.950 1.00 26.62 C ATOM 1119 C LEU A 232 30.912 -9.372 15.440 1.00 35.31 C ATOM 1120 O LEU A 232 32.071 -9.022 15.676 1.00 32.80 O ATOM 1121 CB LEU A 232 29.646 -7.304 16.043 1.00 26.25 C ATOM 1122 CG LEU A 232 28.637 -6.206 15.701 1.00 25.23 C ATOM 1123 CD1 LEU A 232 28.340 -5.336 16.911 1.00 24.79 C ATOM 1124 CD2 LEU A 232 29.117 -5.372 14.503 1.00 28.80 C ATOM 1125 H LEU A 232 27.916 -9.234 15.309 1.00 0.00 H ATOM 1126 N GLY A 233 30.496 -10.622 15.608 1.00 31.27 N ATOM 1127 CA GLY A 233 31.448 -11.667 15.944 1.00 35.56 C ATOM 1128 C GLY A 233 31.286 -12.288 17.317 1.00 38.21 C ATOM 1129 O GLY A 233 32.083 -13.136 17.710 1.00 36.95 O ATOM 1130 H GLY A 233 29.488 -10.853 15.499 1.00 0.00 H ATOM 1131 N LEU A 234 30.252 -11.891 18.056 1.00 29.15 N ATOM 1132 CA LEU A 234 30.040 -12.469 19.376 1.00 29.69 C ATOM 1133 C LEU A 234 29.419 -13.856 19.268 1.00 31.52 C ATOM 1134 O LEU A 234 28.642 -14.129 18.354 1.00 28.72 O ATOM 1135 CB LEU A 234 29.131 -11.577 20.235 1.00 28.08 C ATOM 1136 CG LEU A 234 29.603 -10.180 20.608 1.00 32.73 C ATOM 1137 CD1 LEU A 234 28.640 -9.594 21.628 1.00 33.69 C ATOM 1138 CD2 LEU A 234 31.014 -10.216 21.163 1.00 37.63 C ATOM 1139 H LEU A 234 29.597 -11.170 17.692 1.00 0.00 H ATOM 1140 N ASP A 235 29.766 -14.734 20.204 1.00 36.42 N ATOM 1141 CA ASP A 235 29.073 -16.006 20.333 1.00 38.34 C ATOM 1142 C ASP A 235 28.166 -15.914 21.551 1.00 41.57 C ATOM 1143 O ASP A 235 27.888 -14.819 22.045 1.00 41.41 O ATOM 1144 CB ASP A 235 30.049 -17.183 20.457 1.00 56.32 C ATOM 1145 CG ASP A 235 29.427 -18.507 20.015 1.00 73.67 C ATOM 1146 OD1 ASP A 235 29.250 -18.705 18.793 1.00 82.06 O ATOM 1147 OD2 ASP A 235 29.111 -19.345 20.887 1.00 77.08 O ATOM 1148 H ASP A 235 30.545 -14.508 20.854 1.00 0.00 H ATOM 1149 N HIS A 236 27.693 -17.052 22.037 1.00 31.68 N ATOM 1150 CA HIS A 236 26.689 -17.016 23.093 1.00 39.75 C ATOM 1151 C HIS A 236 27.286 -16.862 24.484 1.00 42.40 C ATOM 1152 O HIS A 236 28.425 -17.248 24.745 1.00 39.65 O ATOM 1153 CB HIS A 236 25.811 -18.269 23.033 1.00 37.99 C ATOM 1154 CG HIS A 236 24.820 -18.253 21.908 1.00 32.46 C ATOM 1155 ND1 HIS A 236 24.539 -19.366 21.145 1.00 31.38 N ATOM 1156 CD2 HIS A 236 24.036 -17.257 21.422 1.00 28.89 C ATOM 1157 CE1 HIS A 236 23.635 -19.058 20.233 1.00 38.10 C ATOM 1158 NE2 HIS A 236 23.313 -17.785 20.379 1.00 28.30 N ATOM 1159 H HIS A 236 28.035 -17.962 21.669 1.00 0.00 H ATOM 1160 N SER A 237 26.489 -16.281 25.370 1.00 38.55 N ATOM 1161 CA SER A 237 26.861 -16.078 26.764 1.00 38.25 C ATOM 1162 C SER A 237 26.284 -17.183 27.631 1.00 40.82 C ATOM 1163 O SER A 237 25.300 -17.814 27.254 1.00 40.23 O ATOM 1164 CB SER A 237 26.352 -14.723 27.253 1.00 36.03 C ATOM 1165 OG SER A 237 26.510 -14.589 28.659 1.00 39.10 O ATOM 1166 HG SER A 237 27.469 -14.668 28.891 1.00 0.00 H ATOM 1167 H SER A 237 25.553 -15.954 25.055 1.00 0.00 H ATOM 1168 N SER A 238 26.885 -17.417 28.793 1.00 40.89 N ATOM 1169 CA SER A 238 26.313 -18.354 29.750 1.00 41.66 C ATOM 1170 C SER A 238 25.556 -17.620 30.853 1.00 44.81 C ATOM 1171 O SER A 238 25.169 -18.222 31.852 1.00 53.53 O ATOM 1172 CB SER A 238 27.401 -19.246 30.362 1.00 47.71 C ATOM 1173 OG SER A 238 27.814 -20.238 29.438 1.00 55.30 O ATOM 1174 HG SER A 238 28.176 -19.801 28.627 1.00 0.00 H ATOM 1175 H SER A 238 27.773 -16.926 29.021 1.00 0.00 H ATOM 1176 N VAL A 239 25.335 -16.323 30.661 1.00 45.00 N ATOM 1177 CA VAL A 239 24.603 -15.522 31.639 1.00 43.74 C ATOM 1178 C VAL A 239 23.176 -15.253 31.169 1.00 42.01 C ATOM 1179 O VAL A 239 22.973 -14.521 30.201 1.00 35.61 O ATOM 1180 CB VAL A 239 25.309 -14.181 31.911 1.00 42.11 C ATOM 1181 CG1 VAL A 239 24.540 -13.374 32.942 1.00 40.81 C ATOM 1182 CG2 VAL A 239 26.746 -14.418 32.366 1.00 40.79 C ATOM 1183 H VAL A 239 25.691 -15.869 29.796 1.00 0.00 H ATOM 1184 N PRO A 240 22.184 -15.868 31.834 1.00 43.54 N ATOM 1185 CA PRO A 240 20.763 -15.718 31.492 1.00 42.05 C ATOM 1186 C PRO A 240 20.295 -14.276 31.259 1.00 38.63 C ATOM 1187 O PRO A 240 19.449 -14.068 30.391 1.00 42.54 O ATOM 1188 CB PRO A 240 20.043 -16.317 32.708 1.00 42.90 C ATOM 1189 CG PRO A 240 21.121 -16.923 33.590 1.00 47.56 C ATOM 1190 CD PRO A 240 22.385 -16.956 32.801 1.00 48.16 C ATOM 1191 N GLU A 241 20.824 -13.308 32.003 1.00 33.25 N ATOM 1192 CA GLU A 241 20.427 -11.917 31.808 1.00 36.94 C ATOM 1193 C GLU A 241 21.156 -11.231 30.655 1.00 38.29 C ATOM 1194 O GLU A 241 20.829 -10.100 30.308 1.00 36.63 O ATOM 1195 CB GLU A 241 20.651 -11.108 33.081 1.00 38.74 C ATOM 1196 CG GLU A 241 19.801 -11.557 34.249 1.00 46.66 C ATOM 1197 CD GLU A 241 20.388 -12.752 34.973 1.00 57.89 C ATOM 1198 OE1 GLU A 241 19.633 -13.447 35.683 1.00 66.44 O ATOM 1199 OE2 GLU A 241 21.606 -12.991 34.834 1.00 63.59 O ATOM 1200 H GLU A 241 21.528 -13.545 32.731 1.00 0.00 H ATOM 1201 N ALA A 242 22.153 -11.892 30.074 1.00 33.03 N ATOM 1202 CA ALA A 242 22.903 -11.285 28.980 1.00 30.88 C ATOM 1203 C ALA A 242 22.114 -11.313 27.675 1.00 30.26 C ATOM 1204 O ALA A 242 21.351 -12.246 27.405 1.00 28.99 O ATOM 1205 CB ALA A 242 24.258 -11.989 28.794 1.00 33.54 C ATOM 1206 H ALA A 242 22.400 -12.848 30.402 1.00 0.00 H ATOM 1207 N LEU A 243 22.305 -10.282 26.861 1.00 24.49 N ATOM 1208 CA LEU A 243 21.670 -10.216 25.554 1.00 23.21 C ATOM 1209 C LEU A 243 22.088 -11.407 24.687 1.00 28.25 C ATOM 1210 O LEU A 243 21.282 -11.956 23.946 1.00 25.43 O ATOM 1211 CB LEU A 243 22.017 -8.893 24.871 1.00 23.57 C ATOM 1212 CG LEU A 243 21.526 -8.724 23.431 1.00 25.02 C ATOM 1213 CD1 LEU A 243 20.010 -8.830 23.336 1.00 18.89 C ATOM 1214 CD2 LEU A 243 21.983 -7.387 22.880 1.00 27.30 C ATOM 1215 H LEU A 243 22.923 -9.503 27.165 1.00 0.00 H ATOM 1216 N MET A 244 23.343 -11.837 24.806 1.00 27.42 N ATOM 1217 CA MET A 244 23.848 -12.898 23.928 1.00 31.73 C ATOM 1218 C MET A 244 23.583 -14.309 24.474 1.00 32.83 C ATOM 1219 O MET A 244 24.137 -15.296 23.977 1.00 35.82 O ATOM 1220 CB MET A 244 25.347 -12.691 23.671 1.00 30.58 C ATOM 1221 CG MET A 244 25.621 -11.429 22.851 1.00 31.15 C ATOM 1222 SD MET A 244 24.548 -11.280 21.394 1.00 27.99 S ATOM 1223 CE MET A 244 25.102 -12.712 20.457 1.00 29.23 C ATOM 1224 H MET A 244 23.968 -11.419 25.525 1.00 0.00 H ATOM 1225 N TYR A 245 22.729 -14.398 25.491 1.00 30.58 N ATOM 1226 CA TYR A 245 22.220 -15.684 25.963 1.00 31.86 C ATOM 1227 C TYR A 245 21.396 -16.368 24.863 1.00 33.62 C ATOM 1228 O TYR A 245 20.691 -15.691 24.129 1.00 30.31 O ATOM 1229 CB TYR A 245 21.370 -15.486 27.215 1.00 31.82 C ATOM 1230 CG TYR A 245 21.269 -16.726 28.051 1.00 38.27 C ATOM 1231 CD1 TYR A 245 22.379 -17.202 28.736 1.00 40.02 C ATOM 1232 CD2 TYR A 245 20.080 -17.434 28.149 1.00 39.77 C ATOM 1233 CE1 TYR A 245 22.312 -18.332 29.501 1.00 47.37 C ATOM 1234 CE2 TYR A 245 20.003 -18.584 28.923 1.00 48.06 C ATOM 1235 CZ TYR A 245 21.127 -19.020 29.597 1.00 53.66 C ATOM 1236 OH TYR A 245 21.089 -20.150 30.374 1.00 60.72 O ATOM 1237 HH TYR A 245 21.981 -20.304 30.775 1.00 0.00 H ATOM 1238 H TYR A 245 22.415 -13.527 25.964 1.00 0.00 H ATOM 1239 N PRO A 246 21.469 -17.709 24.754 1.00 31.52 N ATOM 1240 CA PRO A 246 20.877 -18.379 23.584 1.00 30.49 C ATOM 1241 C PRO A 246 19.382 -18.688 23.667 1.00 37.09 C ATOM 1242 O PRO A 246 18.862 -19.384 22.801 1.00 39.90 O ATOM 1243 CB PRO A 246 21.668 -19.700 23.494 1.00 38.35 C ATOM 1244 CG PRO A 246 22.747 -19.608 24.522 1.00 43.07 C ATOM 1245 CD PRO A 246 22.292 -18.636 25.545 1.00 43.17 C ATOM 1246 N MET A 247 18.711 -18.179 24.692 1.00 36.50 N ATOM 1247 CA MET A 247 17.269 -18.330 24.794 1.00 36.45 C ATOM 1248 C MET A 247 16.628 -16.947 24.851 1.00 33.43 C ATOM 1249 O MET A 247 17.118 -16.057 25.543 1.00 35.28 O ATOM 1250 CB MET A 247 16.892 -19.158 26.024 1.00 40.25 C ATOM 1251 CG MET A 247 17.494 -20.557 26.042 1.00 45.86 C ATOM 1252 SD MET A 247 17.037 -21.493 27.514 1.00 51.19 S ATOM 1253 CE MET A 247 15.274 -21.692 27.263 1.00 60.28 C ATOM 1254 H MET A 247 19.225 -17.664 25.435 1.00 0.00 H ATOM 1255 N TYR A 248 15.547 -16.764 24.104 1.00 31.19 N ATOM 1256 CA TYR A 248 14.830 -15.494 24.115 1.00 28.85 C ATOM 1257 C TYR A 248 14.055 -15.334 25.403 1.00 32.63 C ATOM 1258 O TYR A 248 13.318 -16.225 25.803 1.00 33.46 O ATOM 1259 CB TYR A 248 13.873 -15.402 22.924 1.00 25.18 C ATOM 1260 CG TYR A 248 12.982 -14.174 22.921 1.00 25.87 C ATOM 1261 CD1 TYR A 248 11.748 -14.181 23.570 1.00 25.16 C ATOM 1262 CD2 TYR A 248 13.356 -13.031 22.238 1.00 23.74 C ATOM 1263 CE1 TYR A 248 10.930 -13.058 23.565 1.00 24.55 C ATOM 1264 CE2 TYR A 248 12.536 -11.909 22.215 1.00 23.31 C ATOM 1265 CZ TYR A 248 11.335 -11.934 22.883 1.00 22.98 C ATOM 1266 OH TYR A 248 10.518 -10.825 22.869 1.00 22.38 O ATOM 1267 HH TYR A 248 9.700 -11.012 23.395 1.00 0.00 H ATOM 1268 H TYR A 248 15.205 -17.539 23.501 1.00 0.00 H ATOM 1269 N ARG A 249 14.217 -14.191 26.053 1.00 32.19 N ATOM 1270 CA ARG A 249 13.375 -13.856 27.191 1.00 36.95 C ATOM 1271 C ARG A 249 13.022 -12.388 27.078 1.00 36.80 C ATOM 1272 O ARG A 249 13.910 -11.539 27.043 1.00 40.69 O ATOM 1273 CB ARG A 249 14.085 -14.154 28.518 1.00 39.92 C ATOM 1274 CG ARG A 249 13.180 -14.082 29.729 1.00 50.89 C ATOM 1275 CD ARG A 249 13.978 -14.232 31.016 1.00 63.35 C ATOM 1276 NE ARG A 249 13.120 -14.248 32.198 1.00 75.55 N ATOM 1277 CZ ARG A 249 13.549 -14.021 33.437 1.00 84.82 C ATOM 1278 NH1 ARG A 249 12.699 -14.057 34.456 1.00 86.70 N ATOM 1279 NH2 ARG A 249 14.830 -13.753 33.658 1.00 89.51 N ATOM 1280 HE ARG A 249 12.109 -14.450 32.063 1.00 0.00 H ATOM 1281 HH12 ARG A 249 13.038 -13.879 35.423 1.00 0.00 H ATOM 1282 HH11 ARG A 249 11.694 -14.263 34.288 1.00 0.00 H ATOM 1283 HH22 ARG A 249 15.165 -13.576 34.627 1.00 0.00 H ATOM 1284 HH21 ARG A 249 15.499 -13.720 32.863 1.00 0.00 H ATOM 1285 H ARG A 249 14.955 -13.525 25.746 1.00 0.00 H ATOM 1286 N PHE A 250 11.734 -12.074 26.994 1.00 34.10 N ATOM 1287 CA PHE A 250 11.369 -10.677 26.840 1.00 33.53 C ATOM 1288 C PHE A 250 11.614 -9.932 28.135 1.00 35.42 C ATOM 1289 O PHE A 250 11.265 -10.405 29.215 1.00 35.75 O ATOM 1290 CB PHE A 250 9.913 -10.500 26.430 1.00 35.78 C ATOM 1291 CG PHE A 250 9.481 -9.066 26.422 1.00 29.13 C ATOM 1292 CD1 PHE A 250 9.858 -8.228 25.384 1.00 30.36 C ATOM 1293 CD2 PHE A 250 8.727 -8.545 27.463 1.00 34.26 C ATOM 1294 CE1 PHE A 250 9.485 -6.898 25.382 1.00 32.26 C ATOM 1295 CE2 PHE A 250 8.350 -7.216 27.463 1.00 34.79 C ATOM 1296 CZ PHE A 250 8.727 -6.395 26.422 1.00 32.09 C ATOM 1297 H PHE A 250 11.003 -12.813 27.038 1.00 0.00 H ATOM 1298 N THR A 251 12.201 -8.752 28.008 1.00 34.12 N ATOM 1299 CA THR A 251 12.419 -7.884 29.145 1.00 40.02 C ATOM 1300 C THR A 251 12.230 -6.434 28.725 1.00 38.57 C ATOM 1301 O THR A 251 12.388 -6.084 27.548 1.00 39.13 O ATOM 1302 CB THR A 251 13.826 -8.067 29.734 1.00 43.27 C ATOM 1303 OG1 THR A 251 13.945 -7.276 30.920 1.00 44.99 O ATOM 1304 CG2 THR A 251 14.886 -7.628 28.731 1.00 40.45 C ATOM 1305 HG1 THR A 251 14.851 -7.391 31.303 1.00 0.00 H ATOM 1306 H THR A 251 12.514 -8.441 27.066 1.00 0.00 H ATOM 1307 N GLU A 252 11.879 -5.590 29.684 1.00 37.53 N ATOM 1308 CA GLU A 252 11.809 -4.167 29.420 1.00 45.44 C ATOM 1309 C GLU A 252 13.008 -3.453 30.055 1.00 48.39 C ATOM 1310 O GLU A 252 13.187 -2.248 29.877 1.00 51.25 O ATOM 1311 CB GLU A 252 10.477 -3.597 29.925 1.00 53.47 C ATOM 1312 CG GLU A 252 9.282 -4.117 29.130 1.00 60.65 C ATOM 1313 CD GLU A 252 7.951 -3.543 29.582 1.00 68.34 C ATOM 1314 OE1 GLU A 252 7.527 -3.834 30.721 1.00 70.50 O ATOM 1315 OE2 GLU A 252 7.324 -2.808 28.789 1.00 72.08 O ATOM 1316 H GLU A 252 11.652 -5.951 30.633 1.00 0.00 H ATOM 1317 N GLY A 253 13.834 -4.207 30.779 1.00 44.32 N ATOM 1318 CA GLY A 253 15.041 -3.661 31.383 1.00 42.74 C ATOM 1319 C GLY A 253 16.164 -3.493 30.373 1.00 38.93 C ATOM 1320 O GLY A 253 16.027 -3.913 29.217 1.00 37.55 O ATOM 1321 H GLY A 253 13.610 -5.213 30.917 1.00 0.00 H ATOM 1322 N PRO A 254 17.278 -2.865 30.793 1.00 31.89 N ATOM 1323 CA PRO A 254 18.411 -2.695 29.877 1.00 30.06 C ATOM 1324 C PRO A 254 18.916 -4.041 29.400 1.00 27.22 C ATOM 1325 O PRO A 254 19.215 -4.903 30.227 1.00 30.03 O ATOM 1326 CB PRO A 254 19.460 -1.982 30.733 1.00 30.00 C ATOM 1327 CG PRO A 254 18.676 -1.311 31.810 1.00 34.68 C ATOM 1328 CD PRO A 254 17.535 -2.241 32.100 1.00 34.53 C ATOM 1329 N PRO A 255 18.989 -4.230 28.079 1.00 25.75 N ATOM 1330 CA PRO A 255 19.370 -5.526 27.516 1.00 22.22 C ATOM 1331 C PRO A 255 20.833 -5.900 27.737 1.00 25.50 C ATOM 1332 O PRO A 255 21.099 -7.096 27.851 1.00 27.80 O ATOM 1333 CB PRO A 255 19.085 -5.355 26.017 1.00 26.98 C ATOM 1334 CG PRO A 255 18.157 -4.198 25.926 1.00 31.81 C ATOM 1335 CD PRO A 255 18.572 -3.287 27.029 1.00 28.69 C ATOM 1336 N LEU A 256 21.751 -4.936 27.766 1.00 30.39 N ATOM 1337 CA LEU A 256 23.167 -5.295 27.860 1.00 28.30 C ATOM 1338 C LEU A 256 23.575 -5.657 29.288 1.00 29.47 C ATOM 1339 O LEU A 256 23.196 -4.988 30.260 1.00 29.70 O ATOM 1340 CB LEU A 256 24.078 -4.171 27.354 1.00 33.16 C ATOM 1341 CG LEU A 256 24.114 -3.894 25.851 1.00 28.97 C ATOM 1342 CD1 LEU A 256 25.193 -2.877 25.538 1.00 31.73 C ATOM 1343 CD2 LEU A 256 24.291 -5.182 25.047 1.00 26.20 C ATOM 1344 H LEU A 256 21.465 -3.937 27.722 1.00 0.00 H ATOM 1345 N HIS A 257 24.378 -6.714 29.378 1.00 29.84 N ATOM 1346 CA HIS A 257 24.964 -7.176 30.623 1.00 33.04 C ATOM 1347 C HIS A 257 26.479 -7.017 30.526 1.00 33.07 C ATOM 1348 O HIS A 257 27.017 -6.968 29.409 1.00 33.16 O ATOM 1349 CB HIS A 257 24.587 -8.635 30.880 1.00 34.85 C ATOM 1350 CG HIS A 257 25.038 -9.149 32.210 1.00 40.85 C ATOM 1351 ND1 HIS A 257 26.309 -9.641 32.427 1.00 43.14 N ATOM 1352 CD2 HIS A 257 24.392 -9.240 33.397 1.00 41.65 C ATOM 1353 CE1 HIS A 257 26.424 -10.013 33.690 1.00 46.21 C ATOM 1354 NE2 HIS A 257 25.276 -9.781 34.300 1.00 41.63 N ATOM 1355 H HIS A 257 24.598 -7.239 28.507 1.00 0.00 H ATOM 1356 N LYS A 258 27.151 -6.931 31.674 1.00 35.76 N ATOM 1357 CA LYS A 258 28.618 -6.866 31.730 1.00 35.30 C ATOM 1358 C LYS A 258 29.295 -7.839 30.768 1.00 36.81 C ATOM 1359 O LYS A 258 30.303 -7.507 30.132 1.00 40.55 O ATOM 1360 CB LYS A 258 29.115 -7.161 33.147 1.00 38.00 C ATOM 1361 CG LYS A 258 29.492 -5.941 33.966 1.00 46.65 C ATOM 1362 CD LYS A 258 30.169 -6.357 35.271 1.00 46.03 C ATOM 1363 CE LYS A 258 30.079 -5.282 36.348 1.00 43.44 C ATOM 1364 NZ LYS A 258 30.840 -4.051 36.000 1.00 43.87 N ATOM 1365 HZ1 LYS A 258 31.844 -4.290 35.872 1.00 0.00 H ATOM 1366 HZ2 LYS A 258 30.463 -3.650 35.118 1.00 0.00 H ATOM 1367 HZ3 LYS A 258 30.743 -3.356 36.768 1.00 0.00 H ATOM 1368 H LYS A 258 26.616 -6.909 32.565 1.00 0.00 H ATOM 1369 N ASP A 259 28.749 -9.047 30.685 1.00 36.72 N ATOM 1370 CA ASP A 259 29.320 -10.084 29.834 1.00 41.50 C ATOM 1371 C ASP A 259 29.257 -9.709 28.358 1.00 36.82 C ATOM 1372 O ASP A 259 30.200 -9.956 27.610 1.00 37.16 O ATOM 1373 CB ASP A 259 28.604 -11.417 30.045 1.00 39.89 C ATOM 1374 CG ASP A 259 29.350 -12.577 29.404 1.00 44.18 C ATOM 1375 OD1 ASP A 259 30.548 -12.749 29.724 1.00 40.78 O ATOM 1376 OD2 ASP A 259 28.755 -13.296 28.579 1.00 38.76 O ATOM 1377 H ASP A 259 27.895 -9.258 31.240 1.00 0.00 H ATOM 1378 N ASP A 260 28.134 -9.129 27.941 1.00 31.25 N ATOM 1379 CA ASP A 260 27.984 -8.678 26.565 1.00 29.49 C ATOM 1380 C ASP A 260 29.059 -7.649 26.232 1.00 33.17 C ATOM 1381 O ASP A 260 29.712 -7.732 25.191 1.00 35.24 O ATOM 1382 CB ASP A 260 26.596 -8.067 26.331 1.00 30.96 C ATOM 1383 CG ASP A 260 25.469 -9.054 26.570 1.00 36.26 C ATOM 1384 OD1 ASP A 260 25.545 -10.183 26.044 1.00 31.82 O ATOM 1385 OD2 ASP A 260 24.494 -8.693 27.273 1.00 30.61 O ATOM 1386 H ASP A 260 27.349 -8.996 28.610 1.00 0.00 H ATOM 1387 N VAL A 261 29.230 -6.681 27.125 1.00 32.81 N ATOM 1388 CA VAL A 261 30.156 -5.584 26.898 1.00 32.33 C ATOM 1389 C VAL A 261 31.607 -6.090 26.971 1.00 35.01 C ATOM 1390 O VAL A 261 32.445 -5.685 26.167 1.00 39.24 O ATOM 1391 CB VAL A 261 29.921 -4.444 27.909 1.00 32.75 C ATOM 1392 CG1 VAL A 261 30.943 -3.343 27.724 1.00 38.92 C ATOM 1393 CG2 VAL A 261 28.494 -3.888 27.734 1.00 30.67 C ATOM 1394 H VAL A 261 28.686 -6.709 28.011 1.00 0.00 H ATOM 1395 N ASN A 262 31.891 -6.982 27.917 1.00 36.63 N ATOM 1396 CA ASN A 262 33.213 -7.611 27.989 1.00 40.29 C ATOM 1397 C ASN A 262 33.554 -8.335 26.698 1.00 45.58 C ATOM 1398 O ASN A 262 34.657 -8.202 26.175 1.00 41.08 O ATOM 1399 CB ASN A 262 33.295 -8.592 29.156 1.00 44.16 C ATOM 1400 CG ASN A 262 33.455 -7.896 30.494 1.00 56.06 C ATOM 1401 OD1 ASN A 262 33.850 -6.732 30.561 1.00 59.01 O ATOM 1402 ND2 ASN A 262 33.157 -8.614 31.571 1.00 62.61 N ATOM 1403 HD22 ASN A 262 32.827 -9.595 31.467 1.00 0.00 H ATOM 1404 HD21 ASN A 262 33.254 -8.196 32.518 1.00 0.00 H ATOM 1405 H ASN A 262 31.164 -7.237 28.616 1.00 0.00 H ATOM 1406 N GLY A 263 32.596 -9.101 26.188 1.00 41.22 N ATOM 1407 CA GLY A 263 32.799 -9.836 24.956 1.00 38.38 C ATOM 1408 C GLY A 263 33.055 -8.928 23.772 1.00 36.12 C ATOM 1409 O GLY A 263 33.906 -9.231 22.933 1.00 37.44 O ATOM 1410 H GLY A 263 31.684 -9.174 26.682 1.00 0.00 H ATOM 1411 N ILE A 264 32.319 -7.820 23.680 1.00 34.22 N ATOM 1412 CA ILE A 264 32.462 -6.945 22.524 1.00 33.57 C ATOM 1413 C ILE A 264 33.750 -6.102 22.628 1.00 36.11 C ATOM 1414 O ILE A 264 34.373 -5.807 21.604 1.00 37.23 O ATOM 1415 CB ILE A 264 31.208 -6.043 22.319 1.00 38.95 C ATOM 1416 CG1 ILE A 264 31.085 -5.629 20.848 1.00 37.40 C ATOM 1417 CG2 ILE A 264 31.226 -4.829 23.244 1.00 38.43 C ATOM 1418 CD1 ILE A 264 31.002 -6.797 19.862 1.00 36.76 C ATOM 1419 H ILE A 264 31.643 -7.580 24.433 1.00 0.00 H ATOM 1420 N ARG A 265 34.171 -5.752 23.846 1.00 37.68 N ATOM 1421 CA ARG A 265 35.436 -5.037 24.018 1.00 40.52 C ATOM 1422 C ARG A 265 36.601 -5.989 23.754 1.00 47.95 C ATOM 1423 O ARG A 265 37.686 -5.571 23.348 1.00 45.53 O ATOM 1424 CB ARG A 265 35.562 -4.426 25.428 1.00 42.26 C ATOM 1425 CG ARG A 265 34.782 -3.122 25.646 1.00 41.58 C ATOM 1426 CD ARG A 265 34.912 -2.625 27.094 1.00 41.64 C ATOM 1427 NE ARG A 265 33.903 -1.612 27.417 1.00 49.05 N ATOM 1428 CZ ARG A 265 33.517 -1.277 28.652 1.00 49.38 C ATOM 1429 NH1 ARG A 265 32.586 -0.341 28.830 1.00 42.75 N ATOM 1430 NH2 ARG A 265 34.049 -1.875 29.713 1.00 46.59 N ATOM 1431 HE ARG A 265 33.452 -1.115 26.623 1.00 0.00 H ATOM 1432 HH12 ARG A 265 32.287 -0.081 29.792 1.00 0.00 H ATOM 1433 HH11 ARG A 265 32.158 0.130 28.007 1.00 0.00 H ATOM 1434 HH22 ARG A 265 33.742 -1.607 30.670 1.00 0.00 H ATOM 1435 HH21 ARG A 265 34.773 -2.611 29.587 1.00 0.00 H ATOM 1436 H ARG A 265 33.595 -5.989 24.679 1.00 0.00 H ATOM 1437 N HIS A 266 36.367 -7.272 23.999 1.00 43.02 N ATOM 1438 CA HIS A 266 37.386 -8.302 23.795 1.00 45.70 C ATOM 1439 C HIS A 266 37.752 -8.365 22.310 1.00 45.72 C ATOM 1440 O HIS A 266 38.908 -8.623 21.947 1.00 48.63 O ATOM 1441 CB HIS A 266 36.863 -9.644 24.325 1.00 56.86 C ATOM 1442 CG HIS A 266 37.795 -10.799 24.135 1.00 66.79 C ATOM 1443 ND1 HIS A 266 37.463 -11.897 23.369 1.00 72.17 N ATOM 1444 CD2 HIS A 266 39.032 -11.045 24.630 1.00 75.95 C ATOM 1445 CE1 HIS A 266 38.459 -12.763 23.389 1.00 78.05 C ATOM 1446 NE2 HIS A 266 39.425 -12.270 24.144 1.00 80.47 N ATOM 1447 H HIS A 266 35.429 -7.555 24.347 1.00 0.00 H ATOM 1448 N LEU A 267 36.764 -8.096 21.460 1.00 43.50 N ATOM 1449 CA LEU A 267 36.965 -8.043 20.013 1.00 42.52 C ATOM 1450 C LEU A 267 37.383 -6.652 19.517 1.00 53.44 C ATOM 1451 O LEU A 267 38.274 -6.542 18.676 1.00 45.14 O ATOM 1452 CB LEU A 267 35.691 -8.477 19.276 1.00 42.08 C ATOM 1453 CG LEU A 267 35.164 -9.894 19.497 1.00 44.52 C ATOM 1454 CD1 LEU A 267 33.944 -10.119 18.637 1.00 39.77 C ATOM 1455 CD2 LEU A 267 36.233 -10.929 19.172 1.00 49.44 C ATOM 1456 H LEU A 267 35.813 -7.917 21.840 1.00 0.00 H ATOM 1457 N TYR A 268 36.749 -5.597 20.034 1.00 41.69 N ATOM 1458 CA TYR A 268 36.930 -4.252 19.468 1.00 42.32 C ATOM 1459 C TYR A 268 37.593 -3.197 20.363 1.00 47.71 C ATOM 1460 O TYR A 268 37.841 -2.081 19.912 1.00 44.89 O ATOM 1461 CB TYR A 268 35.578 -3.709 19.008 1.00 38.79 C ATOM 1462 CG TYR A 268 34.984 -4.532 17.892 1.00 37.06 C ATOM 1463 CD1 TYR A 268 35.323 -4.288 16.568 1.00 42.58 C ATOM 1464 CD2 TYR A 268 34.103 -5.570 18.162 1.00 37.69 C ATOM 1465 CE1 TYR A 268 34.795 -5.052 15.535 1.00 36.32 C ATOM 1466 CE2 TYR A 268 33.566 -6.337 17.138 1.00 33.73 C ATOM 1467 CZ TYR A 268 33.920 -6.070 15.828 1.00 34.33 C ATOM 1468 OH TYR A 268 33.405 -6.822 14.802 1.00 33.22 O ATOM 1469 HH TYR A 268 33.662 -7.770 14.928 1.00 0.00 H ATOM 1470 H TYR A 268 36.117 -5.728 20.850 1.00 0.00 H ATOM 1471 N GLY A 269 37.866 -3.540 21.617 1.00 45.18 N ATOM 1472 CA GLY A 269 38.566 -2.627 22.505 1.00 47.52 C ATOM 1473 C GLY A 269 37.645 -1.674 23.242 1.00 49.63 C ATOM 1474 O GLY A 269 38.090 -0.805 23.994 1.00 49.27 O ATOM 1475 OXT GLY A 269 36.426 -1.745 23.097 1.00 49.65 O ATOM 1476 H GLY A 269 37.575 -4.475 21.968 1.00 0.00 H TER 1477 GLY A 269 HETATM 1478 ZN ZN A 1 22.248 -16.415 19.148 1.00 27.39 ZN HETATM 1479 ZN ZN A 2 19.346 -17.017 6.294 1.00 25.38 ZN HETATM 1480 CA CA A 3 10.747 -20.159 13.476 1.00 25.01 CA HETATM 1481 CA CA A 4 27.507 -9.186 4.305 1.00 28.98 CA HETATM 1482 CA CA A 5 5.706 -12.559 10.399 1.00 32.28 CA HETATM 1483 O HOH 6 27.736 -5.852 -3.452 1.00 65.47 O HETATM 1484 O HOH 7 27.564 -19.004 17.229 1.00 40.92 O HETATM 1485 O HOH 8 25.549 -18.885 34.124 1.00 57.57 O HETATM 1486 O HOH 9 26.794 -21.089 20.661 1.00 61.50 O HETATM 1487 O HOH 10 31.614 6.237 10.807 1.00 50.49 O HETATM 1488 O HOH 11 6.803 -24.373 14.015 1.00 51.25 O HETATM 1489 O HOH 12 8.099 -11.221 23.376 1.00 30.22 O HETATM 1490 O HOH 13 30.652 -4.639 0.697 1.00 56.46 O HETATM 1491 O HOH 14 4.884 -23.286 17.632 1.00 45.25 O HETATM 1492 O HOH 15 17.233 1.820 10.287 1.00 26.93 O HETATM 1493 O HOH 16 5.824 -10.611 25.950 1.00 60.67 O HETATM 1494 O HOH 17 39.175 -12.611 11.857 1.00 53.04 O HETATM 1495 O HOH 18 31.112 -5.949 3.457 1.00 43.97 O HETATM 1496 O HOH 19 10.644 0.832 16.767 1.00 34.27 O HETATM 1497 O HOH 20 29.163 3.250 9.690 1.00 39.87 O HETATM 1498 O HOH 21 24.891 -10.307 1.031 1.00 38.00 O HETATM 1499 O HOH 22 3.087 -7.046 15.021 1.00 32.26 O HETATM 1500 O HOH 23 34.884 -13.327 17.154 1.00 57.28 O HETATM 1501 O HOH 24 31.655 -1.933 3.537 1.00 50.85 O HETATM 1502 O HOH 25 27.112 -7.992 2.212 1.00 31.03 O HETATM 1503 O HOH 26 8.595 -12.023 4.390 1.00 45.90 O HETATM 1504 O HOH 27 6.215 -3.346 6.695 1.00 33.80 O HETATM 1505 O HOH 28 18.103 -21.694 21.759 1.00 75.46 O HETATM 1506 O HOH 29 29.728 -8.491 4.115 1.00 32.87 O HETATM 1507 O HOH 30 17.270 -25.964 2.683 1.00 43.51 O HETATM 1508 O HOH 31 5.159 -10.348 6.355 1.00 29.21 O HETATM 1509 O HOH 32 15.814 -0.394 2.847 1.00 30.54 O HETATM 1510 O HOH 33 11.087 -19.889 1.309 1.00 31.30 O HETATM 1511 O HOH 34 21.770 -12.032 2.843 1.00 26.48 O HETATM 1512 O HOH 35 11.472 2.990 5.095 1.00 49.33 O HETATM 1513 O HOH 36 9.960 -20.158 8.481 1.00 24.42 O HETATM 1514 O HOH 37 17.583 -20.724 3.933 1.00 28.32 O HETATM 1515 O HOH 38 18.264 0.203 3.933 1.00 26.89 O HETATM 1516 O HOH 39 24.653 0.555 24.828 1.00 30.56 O HETATM 1517 O HOH 40 15.797 -14.444 1.887 1.00 42.31 O HETATM 1518 O HOH 41 12.031 5.287 8.536 1.00 40.11 O HETATM 1519 O HOH 42 26.906 -16.397 13.900 1.00 37.11 O HETATM 1520 O HOH 43 10.921 -6.429 32.105 1.00 51.73 O HETATM 1521 O HOH 44 31.328 -15.025 22.440 1.00 49.09 O HETATM 1522 O HOH 45 13.426 -21.994 -1.254 1.00 33.09 O HETATM 1523 O HOH 46 29.563 -19.910 27.349 1.00 52.27 O HETATM 1524 O HOH 47 4.736 -17.139 18.753 1.00 33.56 O HETATM 1525 O HOH 48 19.832 -21.322 11.134 1.00 37.78 O HETATM 1526 O HOH 49 21.632 3.430 15.169 1.00 34.17 O HETATM 1527 O HOH 50 34.895 0.855 22.367 1.00 51.00 O HETATM 1528 O HOH 51 2.844 -10.815 7.952 1.00 42.90 O HETATM 1529 O HOH 52 10.898 -4.381 22.623 1.00 27.78 O HETATM 1530 O HOH 53 22.672 -2.259 30.303 1.00 34.24 O HETATM 1531 O HOH 54 9.928 -10.347 0.521 1.00 34.92 O HETATM 1532 O HOH 55 13.796 -12.728 1.824 1.00 31.23 O HETATM 1533 O HOH 56 3.481 -12.930 10.919 1.00 40.99 O HETATM 1534 O HOH 57 20.963 3.917 11.934 1.00 43.53 O HETATM 1535 O HOH 58 27.620 -12.132 26.086 1.00 38.12 O HETATM 1536 O HOH 59 22.117 5.418 9.385 1.00 45.07 O HETATM 1537 O HOH 60 28.871 -14.705 0.041 1.00 47.49 O HETATM 1538 O HOH 61 14.541 -18.976 22.607 1.00 28.42 O HETATM 1539 O HOH 62 19.205 -15.333 1.926 1.00 43.34 O HETATM 1540 O HOH 63 5.837 -15.865 16.547 1.00 28.34 O HETATM 1541 O HOH 64 11.935 5.232 11.241 1.00 37.64 O HETATM 1542 O HOH 65 21.490 -11.854 0.167 1.00 68.45 O HETATM 1543 O HOH 66 33.286 -8.819 34.439 1.00 66.35 O HETATM 1544 O HOH 67 22.807 4.232 0.038 1.00 41.62 O HETATM 1545 O HOH 68 31.949 0.885 4.924 1.00 60.00 O HETATM 1546 O HOH 69 23.994 -2.200 -4.946 1.00 39.11 O HETATM 1547 O HOH 70 27.683 1.252 -3.028 1.00 57.21 O HETATM 1548 O HOH 71 15.253 5.660 14.420 1.00 49.84 O HETATM 1549 O HOH 72 6.056 -3.143 3.918 1.00 40.49 O HETATM 1550 O HOH 73 5.921 3.353 8.002 1.00 29.41 O HETATM 1551 O HOH 74 9.513 -5.843 1.346 1.00 34.40 O HETATM 1552 O HOH 75 18.787 -23.689 9.792 1.00 38.14 O HETATM 1553 O HOH 76 37.156 -8.084 27.676 1.00 68.21 O HETATM 1554 O HOH 77 33.987 3.477 21.908 1.00 77.39 O HETATM 1555 O HOH 78 28.839 -15.053 15.336 1.00 48.22 O HETATM 1556 O HOH 79 11.693 -4.128 25.477 1.00 50.90 O HETATM 1557 O HOH 80 15.340 -25.834 10.050 1.00 50.23 O HETATM 1558 O HOH 81 4.353 -13.344 7.725 1.00 77.55 O HETATM 1559 O HOH 82 21.480 -1.991 27.828 1.00 32.90 O HETATM 1560 O HOH 83 10.867 -2.199 21.222 1.00 46.78 O HETATM 1561 O HOH 84 39.293 -3.522 26.532 1.00 66.17 O HETATM 1562 O HOH 85 20.128 -7.535 31.671 1.00 61.28 O HETATM 1563 O HOH 86 29.200 -12.842 23.893 1.00 41.12 O HETATM 1564 O HOH 87 34.053 -5.727 33.393 1.00 74.58 O HETATM 1565 O HOH 88 11.511 -24.075 1.820 1.00 26.18 O HETATM 1566 O HOH 89 10.467 -3.987 18.622 1.00 29.47 O HETATM 1567 O HOH 90 26.099 4.681 14.622 1.00 40.53 O HETATM 1568 O HOH 91 4.500 0.805 6.359 1.00 36.06 O HETATM 1569 O HOH 92 4.662 -15.623 7.186 1.00 45.23 O HETATM 1570 O HOH 93 25.645 -5.892 34.142 1.00 38.25 O HETATM 1571 O HOH 94 16.079 -7.127 -3.679 1.00 40.28 O HETATM 1572 O HOH 95 9.033 -24.970 14.698 1.00 70.38 O HETATM 1573 O HOH 96 14.535 -3.781 26.479 1.00 52.56 O HETATM 1574 O HOH 97 38.338 -2.642 13.244 1.00 63.18 O HETATM 1575 O HOH 98 32.247 -4.105 31.441 1.00 65.79 O HETATM 1576 O HOH 99 24.228 -7.620 36.421 1.00 69.89 O HETATM 1577 O HOH 100 10.188 -22.690 20.686 1.00 46.92 O HETATM 1578 O HOH 101 22.270 -5.902 33.244 1.00 54.74 O HETATM 1579 O HOH 102 24.053 3.578 15.520 1.00 50.59 O HETATM 1580 O HOH 103 30.736 -13.696 25.889 1.00 58.36 O HETATM 1581 O HOH 104 16.493 4.265 9.622 1.00 36.52 O HETATM 1582 O HOH 105 3.472 -4.147 18.647 1.00 66.52 O HETATM 1583 O HOH 106 17.163 -8.102 32.155 1.00 73.10 O HETATM 1584 O HOH 107 1.193 -11.168 6.282 1.00 58.69 O HETATM 1585 O HOH 108 14.418 5.188 12.102 1.00 43.89 O HETATM 1586 O HOH 109 33.287 -14.020 21.113 1.00 53.43 O HETATM 1587 O HOH 110 13.872 -9.371 -1.504 1.00 29.56 O HETATM 1588 O HOH 111 32.658 -7.408 37.054 1.00 67.46 O HETATM 1589 O HOH 112 21.870 -8.064 35.828 1.00 73.15 O HETATM 1590 O HOH 113 2.145 -13.301 8.138 1.00 26.25 O HETATM 1591 O HOH 114 19.417 0.000 27.258 1.00 30.13 O HETATM 1592 O HOH 115 2.216 -14.751 10.970 1.00 55.04 O HETATM 1593 O HOH 116 19.520 -25.928 9.448 1.00 58.42 O HETATM 1594 O HOH 117 13.792 -5.257 -7.142 1.00 60.68 O HETATM 1595 O HOH 118 22.342 -23.556 14.780 1.00 56.59 O HETATM 1596 O HOH 119 15.378 -23.255 -2.738 1.00 41.98 O HETATM 1597 O HOH 120 29.720 -8.270 38.131 1.00 66.34 O HETATM 1598 O HOH 121 22.156 -22.478 12.322 1.00 69.31 O HETATM 1599 O HOH 122 23.356 0.000 27.258 1.00 25.25 O HETATM 1600 C13 H A 27 17.614 -16.554 18.225 1.00 -0.03 C HETATM 1601 C14 H A 27 17.629 -15.458 19.077 1.00 -0.05 C HETATM 1602 C15 H A 27 17.638 -15.611 20.439 1.00 -0.02 C HETATM 1603 C16 H A 27 17.642 -16.892 20.912 1.00 -0.05 C HETATM 1604 C17 H A 27 17.652 -17.982 20.069 1.00 -0.03 C HETATM 1605 C12 H A 27 17.635 -17.852 18.693 1.00 0.11 C HETATM 1606 SA H A 27 17.645 -19.116 17.698 1.00 0.07 S HETATM 1607 NA H A 27 19.075 -19.368 17.482 1.00 -0.22 N HETATM 1608 C24 H A 27 19.752 -20.306 18.349 1.00 0.05 C HETATM 1609 C25 H A 27 19.807 -21.733 17.835 1.00 0.05 C HETATM 1610 N93 H A 27 20.328 -22.706 18.777 1.00 -0.28 N HETATM 1611 C95 H A 27 21.542 -22.662 19.302 1.00 0.14 C HETATM 1612 N94 H A 27 21.679 -22.820 20.606 1.00 -0.25 N HETATM 1613 C27 H A 27 21.614 -23.997 21.435 1.00 0.17 C HETATM 1614 C28 H A 27 22.138 -23.543 22.804 1.00 0.12 C HETATM 1615 C35 H A 27 21.524 -24.247 24.019 1.00 0.15 C HETATM 1616 O36 H A 27 20.539 -23.418 24.587 1.00 -0.27 O HETATM 1617 C37 H A 27 20.760 -23.154 25.975 1.00 0.23 C HETATM 1618 O52 H A 27 19.768 -22.959 26.582 1.00 -0.37 O HETATM 1619 C51 H A 27 22.114 -23.075 26.614 1.00 0.04 C HETATM 1620 H10 H A 27 22.001 -22.861 27.687 1.00 0.05 H HETATM 1621 H11 H A 27 22.697 -22.272 26.140 1.00 0.05 H HETATM 1622 H12 H A 27 22.637 -24.034 26.484 1.00 0.05 H HETATM 1623 C34 H A 27 20.753 -25.517 23.748 1.00 0.15 C HETATM 1624 O41 H A 27 21.597 -26.562 24.184 1.00 -0.27 O HETATM 1625 C42 H A 27 20.836 -27.347 25.148 1.00 0.23 C HETATM 1626 O50 H A 27 20.800 -26.947 26.300 1.00 -0.37 O HETATM 1627 C49 H A 27 20.124 -28.587 24.690 1.00 0.04 C HETATM 1628 H20 H A 27 19.606 -29.049 25.543 1.00 0.05 H HETATM 1629 H21 H A 27 20.855 -29.298 24.277 1.00 0.05 H HETATM 1630 H22 H A 27 19.390 -28.323 23.914 1.00 0.05 H HETATM 1631 C33 H A 27 20.236 -25.695 22.328 1.00 0.12 C HETATM 1632 C38 H A 27 18.785 -26.201 22.403 1.00 0.11 C HETATM 1633 O39 H A 27 18.269 -26.477 21.105 1.00 -0.27 O HETATM 1634 C40 H A 27 17.228 -25.655 20.487 1.00 0.23 C HETATM 1635 O48 H A 27 16.425 -25.127 21.217 1.00 -0.37 O HETATM 1636 C47 H A 27 17.142 -25.478 18.991 1.00 0.04 C HETATM 1637 H26 H A 27 16.291 -24.826 18.747 1.00 0.05 H HETATM 1638 H27 H A 27 17.001 -26.459 18.513 1.00 0.05 H HETATM 1639 H28 H A 27 18.072 -25.021 18.622 1.00 0.05 H HETATM 1640 H24 H A 27 18.161 -25.432 22.881 1.00 0.06 H HETATM 1641 H25 H A 27 18.757 -27.122 23.004 1.00 0.06 H HETATM 1642 O32 H A 27 20.287 -24.464 21.607 1.00 -0.34 O HETATM 1643 H23 H A 27 20.857 -26.439 21.807 1.00 0.07 H HETATM 1644 H19 H A 27 19.862 -25.508 24.393 1.00 0.07 H HETATM 1645 H13 H A 27 22.330 -24.453 24.739 1.00 0.07 H HETATM 1646 N43 H A 27 23.608 -23.480 22.891 1.00 -0.28 N HETATM 1647 C44 H A 27 24.396 -23.533 21.818 1.00 0.17 C HETATM 1648 O46 H A 27 25.085 -22.609 21.409 1.00 -0.40 O HETATM 1649 C45 H A 27 24.314 -24.847 21.130 1.00 0.03 C HETATM 1650 H16 H A 27 24.979 -24.844 20.254 1.00 0.05 H HETATM 1651 H17 H A 27 23.279 -25.026 20.804 1.00 0.05 H HETATM 1652 H18 H A 27 24.624 -25.643 21.823 1.00 0.05 H HETATM 1653 H15 H A 27 24.032 -23.394 23.793 1.00 0.19 H HETATM 1654 H14 H A 27 21.803 -22.499 22.889 1.00 0.06 H HETATM 1655 H29 H A 27 22.239 -24.798 21.013 1.00 0.09 H HETATM 1656 H30 H A 27 21.860 -21.973 21.107 1.00 0.20 H HETATM 1657 SUR H A 27 22.798 -22.305 18.475 1.00 -0.31 S HETATM 1658 H31 H A 27 19.730 -23.460 19.048 1.00 0.20 H HETATM 1659 H32 H A 27 20.446 -21.749 16.940 1.00 0.06 H HETATM 1660 H33 H A 27 18.786 -22.036 17.561 1.00 0.06 H HETATM 1661 H8 H A 27 20.785 -19.955 18.491 1.00 0.05 H HETATM 1662 H9 H A 27 19.230 -20.312 19.317 1.00 0.05 H HETATM 1663 CZA H A 27 19.908 -18.564 16.590 1.00 0.10 C HETATM 1664 CZ1 H A 27 20.839 -19.444 15.745 1.00 -0.01 C HETATM 1665 CC1 H A 27 20.136 -20.237 14.675 1.00 -0.06 C HETATM 1666 H36 H A 27 20.872 -20.837 14.120 1.00 0.02 H HETATM 1667 H37 H A 27 19.627 -19.549 13.984 1.00 0.02 H HETATM 1668 H38 H A 27 19.395 -20.904 15.140 1.00 0.02 H HETATM 1669 CC2 H A 27 21.922 -18.682 15.039 1.00 -0.06 C HETATM 1670 H39 H A 27 22.480 -18.076 15.769 1.00 0.02 H HETATM 1671 H40 H A 27 21.473 -18.022 14.282 1.00 0.02 H HETATM 1672 H41 H A 27 22.608 -19.389 14.549 1.00 0.02 H HETATM 1673 H35 H A 27 21.315 -20.153 16.439 1.00 0.03 H HETATM 1674 C H A 27 20.687 -17.514 17.315 1.00 0.06 C HETATM 1675 OZ2 H A 27 20.764 -16.403 16.805 1.00 -0.57 O HETATM 1676 O98 H A 27 21.245 -17.837 18.378 1.00 -0.57 O HETATM 1677 H34 H A 27 19.229 -18.044 15.898 1.00 0.07 H HETATM 1678 OS2 H A 27 17.045 -20.169 18.216 1.00 -0.15 O HETATM 1679 OS1 H A 27 17.108 -18.764 16.533 1.00 -0.15 O HETATM 1680 H42 H A 27 17.674 -18.976 20.500 1.00 0.06 H HETATM 1681 H3 H A 27 17.637 -17.056 21.983 1.00 0.06 H HETATM 1682 C18 H A 27 17.643 -14.437 21.366 1.00 -0.02 C HETATM 1683 C23 H A 27 18.240 -14.488 22.600 1.00 -0.05 C HETATM 1684 C22 H A 27 18.219 -13.398 23.442 1.00 -0.06 C HETATM 1685 C21 H A 27 17.600 -12.231 23.083 1.00 -0.06 C HETATM 1686 C20 H A 27 16.982 -12.183 21.871 1.00 -0.06 C HETATM 1687 C19 H A 27 17.021 -13.271 21.039 1.00 -0.05 C HETATM 1688 H43 H A 27 16.533 -13.200 20.074 1.00 0.06 H HETATM 1689 H4 H A 27 16.459 -11.284 21.564 1.00 0.06 H HETATM 1690 H5 H A 27 17.602 -11.371 23.744 1.00 0.06 H HETATM 1691 H6 H A 27 18.703 -13.466 24.410 1.00 0.06 H HETATM 1692 H7 H A 27 18.735 -15.399 22.917 1.00 0.06 H HETATM 1693 H2 H A 27 17.634 -14.459 18.656 1.00 0.06 H HETATM 1694 H1 H A 27 17.585 -16.384 17.155 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 213 211 1482 CONECT 538 537 1481 CONECT 632 630 631 1479 CONECT 646 644 1479 CONECT 692 691 1480 CONECT 698 697 1480 CONECT 716 715 1480 CONECT 730 729 1480 CONECT 760 758 759 1479 CONECT 809 808 1481 CONECT 823 822 1481 CONECT 843 842 1481 CONECT 858 857 860 1479 CONECT 887 886 1482 CONECT 890 889 1482 CONECT 905 904 1482 CONECT 1071 1069 1070 1478 CONECT 1109 1107 1108 1478 CONECT 1158 1156 1157 1478 CONECT 1478 1071 1109 1158 CONECT 1479 632 646 760 858 CONECT 1480 692 698 716 730 CONECT 1481 538 809 823 843 CONECT 1482 213 887 890 905 CONECT 1600 1601 1605 1694 CONECT 1601 1600 1602 1693 CONECT 1602 1601 1603 1682 CONECT 1603 1602 1604 1681 CONECT 1604 1603 1605 1680 CONECT 1605 1600 1604 1606 CONECT 1606 1605 1607 1678 1679 CONECT 1607 1606 1608 1663 CONECT 1608 1607 1609 1661 1662 CONECT 1609 1608 1610 1659 1660 CONECT 1610 1609 1611 1658 CONECT 1611 1610 1612 1657 CONECT 1612 1611 1613 1656 CONECT 1613 1612 1614 1642 1655 CONECT 1614 1613 1615 1646 1654 CONECT 1615 1614 1616 1623 1645 CONECT 1616 1615 1617 CONECT 1617 1616 1618 1619 CONECT 1618 1617 CONECT 1619 1617 1620 1621 1622 CONECT 1620 1619 CONECT 1621 1619 CONECT 1622 1619 CONECT 1623 1615 1624 1631 1644 CONECT 1624 1623 1625 CONECT 1625 1624 1626 1627 CONECT 1626 1625 CONECT 1627 1625 1628 1629 1630 CONECT 1628 1627 CONECT 1629 1627 CONECT 1630 1627 CONECT 1631 1623 1632 1642 1643 CONECT 1632 1631 1633 1640 1641 CONECT 1633 1632 1634 CONECT 1634 1633 1635 1636 CONECT 1635 1634 CONECT 1636 1634 1637 1638 1639 CONECT 1637 1636 CONECT 1638 1636 CONECT 1639 1636 CONECT 1640 1632 CONECT 1641 1632 CONECT 1642 1613 1631 CONECT 1643 1631 CONECT 1644 1623 CONECT 1645 1615 CONECT 1646 1614 1647 1653 CONECT 1647 1646 1648 1649 CONECT 1648 1647 CONECT 1649 1647 1650 1651 1652 CONECT 1650 1649 CONECT 1651 1649 CONECT 1652 1649 CONECT 1653 1646 CONECT 1654 1614 CONECT 1655 1613 CONECT 1656 1612 CONECT 1657 1611 CONECT 1658 1610 CONECT 1659 1609 CONECT 1660 1609 CONECT 1661 1608 CONECT 1662 1608 CONECT 1663 1607 1664 1674 1677 CONECT 1664 1663 1665 1669 1673 CONECT 1665 1664 1666 1667 1668 CONECT 1666 1665 CONECT 1667 1665 CONECT 1668 1665 CONECT 1669 1664 1670 1671 1672 CONECT 1670 1669 CONECT 1671 1669 CONECT 1672 1669 CONECT 1673 1664 CONECT 1674 1663 1675 1676 CONECT 1675 1674 CONECT 1676 1674 CONECT 1677 1663 CONECT 1678 1606 CONECT 1679 1606 CONECT 1680 1604 CONECT 1681 1603 CONECT 1682 1602 1683 1687 CONECT 1683 1682 1684 1692 CONECT 1684 1683 1685 1691 CONECT 1685 1684 1686 1690 CONECT 1686 1685 1687 1689 CONECT 1687 1682 1686 1688 CONECT 1688 1687 CONECT 1689 1686 CONECT 1690 1685 CONECT 1691 1684 CONECT 1692 1683 CONECT 1693 1601 CONECT 1694 1600 MASTER 0 0 0 0 0 0 0 0 1693 1 123 13 END
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Related entries of code: 5i12
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
159aa, >2OVX_1|Chains... at 99%
2ovz
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PDBbind
159aa, >2OVZ_1|Chains... at 99%
2ow0
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PDBbind
159aa, >2OW0_1|Chains... at 99%
2ow1
RCSB PDB
PDBbind
159aa, >2OW1_1|Chains... at 99%
2ow2
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PDBbind
159aa, >2OW2_1|Chains... at 99%
4wzv
RCSB PDB
PDBbind
160aa, >4WZV_1|Chains... at 99%
4xct
RCSB PDB
PDBbind
157aa, >4XCT_1|Chain... at 99%
5cuh
RCSB PDB
PDBbind
164aa, >5CUH_1|Chains... at 98%
5ue4
RCSB PDB
PDBbind
236aa, >5UE4_1|Chains... *
6esm
RCSB PDB
PDBbind
160aa, >6ESM_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5i0l
RCSB PDB
PDBbind
H27
Entry Information
PDB ID
5i12
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
catalytic domain of Matrix metalloproteinase-9 (MMP-9)
Ligand Name
H27
EC.Number
E.C.3.4.24.65
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
IC50=1200nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Chemmedchem Vol. 11: pp. 1-13
Ligand Properties
Formula
C
3
4
H
4
4
N
4
O
1
2
S
2
Molecular Weight
764.863
Exact Mass
764.240
No. of atoms
96
No. of bonds
98
Polar Surface Area
256.44
LOGP Value
3.32 (
Computed with XLOGP3
)
3.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 3
Canonical SMILES
CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCN(S(=O)(=O)c2ccc(cc2)c2ccccc2)[C@@H](C(=O)O)C(C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
InChI String
InChI=1S/C34H44N4O12S2/c1-19(2)29(33(43)44)38(52(45,46)26-14-12-25(13-15-26)24-10-8-7-9-11-24)17-16-35-34(51)37-32-28(36-20(3)39)31(49-23(6)42)30(48-22(5)41)27(50-32)18-47-21(4)40/h7-15,19,27-32H,16-18H2,1-6H3,(H,36,39)(H,43,44)(H2,35,37,51)/t27-,28-,29-,30-,31-,32-/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P14780
Entrez Gene ID
NCBI Entrez Gene ID:
4318
ASD
Information of known allosteric effects of PDB entries
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